N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)

C177H195N52O28+ — CID 158085972

IUPACN-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)
SMILESCC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.NC1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1.Nc1ccc([N+](=O)[O-])cc1N.Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1.Nc1ccc2nc(C3CCNCC3)[nH]c2c1.Nc1ccc2nc(C3CCNCC3)[nH]c2c1.Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1.O=[N+]([O-])c1ccc2nc(-c3cccnc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3ccncc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCCCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCCCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1.[H]/[O+]=C(\O)C1CCCCC1
InChIInChI=1S/C14H16N4O3.C13H16N4O2.2C13H10N4O2.C13H17N3O3.2C13H15N3O2.2C12H14N4O2.2C12H8N4O2.2C12H16N4.C7H12O2.C6H7N3O2/c1-9(19)17-6-4-10(5-7-17)14-15-12-3-2-11(18(20)21)8-13(12)16-14;2*14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13;14-9-3-1-2-8(6-9)13-15-11-5-4-10(17(18)19)7-12(11)16-13;14-11-7-6-10(16(18)19)8-12(11)15-13(17)9-4-2-1-3-5-9;2*17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;3*17-16(18)9-1-2-10-11(7-9)15-12(14-10)8-3-5-13-6-4-8;17-16(18)9-3-4-10-11(6-9)15-12(14-10)8-2-1-5-13-7-8;2*13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;8-7(9)6-4-2-1-3-5-6;7-5-2-1-4(9(10)11)3-6(5)8/h2-3,8,10H,4-7H2,1H3,(H,15,16);5-9H,1-4,14H2,(H,15,16);2*1-7H,14H2,(H,15,16);6-9H,1-5,14H2,(H,15,17);2*6-9H,1-5H2,(H,14,15);2*1-2,7-8,13H,3-6H2,(H,14,15);2*1-7H,(H,14,15);2*1-2,7-8,14H,3-6,13H2,(H,15,16);6H,1-5H2,(H,8,9);1-3H,7-8H2/p+1
InChIKeyFNNBERDAAWFNMH-UHFFFAOYSA-O
MW3498.84 g/mol
LogP34.38
Rot. Bonds27

About N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)

N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine) (PubChem CID 158085972) has the molecular formula C177H195N52O28+ and a molecular weight of 3498.84 g/mol. Its IUPAC name is N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine).

Molecular Properties

Compound NameN-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)
PubChem CID158085972
Molecular FormulaC177H195N52O28+
Molecular Weight3498.84 g/mol
Exact Mass3496.54
IUPAC NameN-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)
SMILESCC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.NC1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1.Nc1ccc([N+](=O)[O-])cc1N.Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1.Nc1ccc2nc(C3CCNCC3)[nH]c2c1.Nc1ccc2nc(C3CCNCC3)[nH]c2c1.Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1.O=[N+]([O-])c1ccc2nc(-c3cccnc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3ccncc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCCCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCCCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1.[H]/[O+]=C(\O)C1CCCCC1
InChIInChI=1S/C14H16N4O3.C13H16N4O2.2C13H10N4O2.C13H17N3O3.2C13H15N3O2.2C12H14N4O2.2C12H8N4O2.2C12H16N4.C7H12O2.C6H7N3O2/c1-9(19)17-6-4-10(5-7-17)14-15-12-3-2-11(18(20)21)8-13(12)16-14;2*14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13;14-9-3-1-2-8(6-9)13-15-11-5-4-10(17(18)19)7-12(11)16-13;14-11-7-6-10(16(18)19)8-12(11)15-13(17)9-4-2-1-3-5-9;2*17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;3*17-16(18)9-1-2-10-11(7-9)15-12(14-10)8-3-5-13-6-4-8;17-16(18)9-3-4-10-11(6-9)15-12(14-10)8-2-1-5-13-7-8;2*13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;8-7(9)6-4-2-1-3-5-6;7-5-2-1-4(9(10)11)3-6(5)8/h2-3,8,10H,4-7H2,1H3,(H,15,16);5-9H,1-4,14H2,(H,15,16);2*1-7H,14H2,(H,15,16);6-9H,1-5,14H2,(H,15,17);2*6-9H,1-5H2,(H,14,15);2*1-2,7-8,13H,3-6H2,(H,14,15);2*1-7H,(H,14,15);2*1-2,7-8,14H,3-6,13H2,(H,15,16);6H,1-5H2,(H,8,9);1-3H,7-8H2/p+1
InChIKeyFNNBERDAAWFNMH-UHFFFAOYSA-O
XLogP34.38
TPSA1234.94 Ų
H-Bond Donors26
H-Bond Acceptors52
Rotatable Bonds27
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003498.84
LogP ≤ 534.38
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1052

Analyze N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine) with MolForge

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Related Compounds

methyl N-[(1R)-2-[(2S)-2-[5-[4-[4-[5-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-2-yl]-2-oxopiperazin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;(2R)-2-phenyl-1-[(2S)-2-[6-[4-[5-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;4-[5-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-2-yl]-1-[4-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperazin-2-one
CID 124034231
(2R)-2-[(3S,4S)-3-[[4-[3-(2,1,3-benzoxadiazol-5-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclopentylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2S)-2-cyclohexyl-2-[(3R,4R)-3-[[4-[2-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)ethyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;bis((2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid)
CID 157324673
benzyl (2S)-2-[2-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-oxopiperazin-1-yl]-1H-imidazol-5-yl]pyrrolidine-1-carboxylate;methyl N-[(1R)-2-[(2S)-2-[5-[4-[4-[5-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-2-yl]-2-oxopiperazin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;(2R)-2-phenyl-1-[(2S)-2-[6-[4-[5-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;4-[5-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-2-yl]-1-[4-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperazin-2-one;4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]-1-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperazin-2-one
CID 157497308
CID 157506343
CID 157506343
1-[4-[[3-(1H-benzimidazol-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone;3-(1H-benzimidazol-2-ylmethyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine;bis(benzotriazol-1-yl 2-phenylethaneperoxoate);2-phenylacetic acid
CID 157997002
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide;3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 159125011
acetic acid;5-[2-[2-(1H-benzimidazol-2-yl)ethylamino]ethyl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide;5-[5-(1H-benzimidazol-2-yl)pentyl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide;iron;5-[7-(2-nitrophenyl)-6-oxoheptyl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 159130653
tert-butyl 4-[(2-amino-5-nitrophenyl)carbamoyl]piperidine-1-carboxylate;tert-butyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate;cis-(1S,3R)-3-(6-nitro-1H-benzimidazol-2-yl)cyclopentan-1-amine;2-cyclohexyl-6-nitro-1H-benzimidazole;methane;2-(1-methylpiperidin-4-yl)-6-nitro-1H-benzimidazole;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;3-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;bis(1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone);bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)
CID 159895503
N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide
CID 159942848
acetic acid;bis(5-[5-(1H-benzimidazol-2-yl)pentyl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide);iron;5-[7-(2-nitrophenyl)-6-oxoheptyl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 160006373
6-[4-(4-nitrophenyl)piperazin-1-yl]-7H-purine;6-(4-phenylpiperazin-1-yl)-7H-purine;4-(4-phenylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol;3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 160066652
6-[(4-anilino-6-tert-butyl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one;2-N-(1H-benzimidazol-2-yl)-6-tert-butyl-4-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[4-tert-butyl-6-(2-ethylhexylamino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one;6-tert-butyl-2-N-(4-nitrophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;6-[(2-tert-butyl-6-oxo-1H-1,3,5-triazin-4-yl)amino]-1,3-dihydroindol-2-one
CID 160100204

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)?
The IUPAC name of N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine) (CID 158085972) is N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine).
What is the SMILES notation for N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)?
The canonical SMILES for N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine) is CC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.NC1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1.Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1.Nc1ccc([N+](=O)[O-])cc1N.Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1.Nc1ccc2nc(C3CCNCC3)[nH]c2c1.Nc1ccc2nc(C3CCNCC3)[nH]c2c1.Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1.O=[N+]([O-])c1ccc2nc(-c3cccnc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3ccncc3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCCCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCCCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1.[H]/[O+]=C(\O)C1CCCCC1.
What is the InChIKey of N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)?
The InChIKey is FNNBERDAAWFNMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16N4O3.C13H16N4O2.2C13H10N4O2.C13H17N3O3.2C13H15N3O2.2C12H14N4O2.2C12H8N4O2.2C12H16N4.C7H12O2.C6H7N3O2/c1-9(19)17-6-4-10(5-7-17)14-15-12-3-2-11(18(20)21)8-13(12)16-14;2*14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13;14-9-3-1-2-8(6-9)13-15-11-5-4-10(17(18)19)7-12(11)16-13;14-11-7-6-10(16(18)19)8-12(11)15-13(17)9-4-2-1-3-5-9;2*17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;3*17-16(18)9-1-2-10-11(7-9)15-12(14-10)8-3-5-13-6-4-8;17-16(18)9-3-4-10-11(6-9)15-12(14-10)8-2-1-5-13-7-8;2*13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;8-7(9)6-4-2-1-3-5-6;7-5-2-1-4(9(10)11)3-6(5)8/h2-3,8,10H,4-7H2,1H3,(H,15,16);5-9H,1-4,14H2,(H,15,16);2*1-7H,14H2,(H,15,16);6-9H,1-5,14H2,(H,15,17);2*6-9H,1-5H2,(H,14,15);2*1-2,7-8,13H,3-6H2,(H,14,15);2*1-7H,(H,14,15);2*1-2,7-8,14H,3-6,13H2,(H,15,16);6H,1-5H2,(H,8,9);1-3H,7-8H2/p+1.
What are the key properties of N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine)?
N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine) has a molecular weight of 3498.84 g/mol, XLogP of 34.38, 27 rotatable bonds, 26 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-nitrophenyl)cyclohexanecarboxamide;[cyclohexyl(hydroxy)methylidene]oxidanium;bis(2-cyclohexyl-6-nitro-1H-benzimidazole);4-nitrobenzene-1,2-diamine;3-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)aniline;4-(6-nitro-1H-benzimidazol-2-yl)cyclohexan-1-amine;1-[4-(6-nitro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone;bis(6-nitro-2-piperidin-4-yl-1H-benzimidazole);6-nitro-2-pyridin-3-yl-1H-benzimidazole;6-nitro-2-pyridin-4-yl-1H-benzimidazole;bis(2-piperidin-4-yl-3H-benzimidazol-5-amine) is sourced from PubChem (CID 158085972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).