2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane

C92H119Cl2N27O11 — CID 158641698

IUPAC2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane
SMILESC.COC(OC)(OC)OC.COc1nc2cccnc2n1C1CCC(Nc2nc3ccccc3[nH]2)CC1.Clc1nc2ccccc2[nH]1.NC1CCC(Cc2ncccc2[N+](=O)[O-])CC1.NC1CCC(N)CC1.Nc1cccnc1NC1CCC(Nc2nc3ccccc3[nH]2)CC1.O=[N+]([O-])c1cccnc1Cl.O=[N+]([O-])c1cccnc1NC1CCC(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H22N6O.C18H20N6O2.C18H22N6.C12H17N3O2.C7H5ClN2.C6H14N2.C5H3ClN2O2.C5H12O4.CH4/c1-27-20-25-17-7-4-12-21-18(17)26(20)14-10-8-13(9-11-14)22-19-23-15-5-2-3-6-16(15)24-19;25-24(26)16-6-3-11-19-17(16)20-12-7-9-13(10-8-12)21-18-22-14-4-1-2-5-15(14)23-18;19-14-4-3-11-20-17(14)21-12-7-9-13(10-8-12)22-18-23-15-5-1-2-6-16(15)24-18;13-10-5-3-9(4-6-10)8-11-12(15(16)17)2-1-7-14-11;8-7-9-5-3-1-2-4-6(5)10-7;7-5-1-2-6(8)4-3-5;6-5-4(8(9)10)2-1-3-7-5;1-6-5(7-2,8-3)9-4;/h2-7,12-14H,8-11H2,1H3,(H2,22,23,24);1-6,11-13H,7-10H2,(H,19,20)(H2,21,22,23);1-6,11-13H,7-10,19H2,(H,20,21)(H2,22,23,24);1-2,7,9-10H,3-6,8,13H2;1-4H,(H,9,10);5-6H,1-4,7-8H2;1-3H;1-4H3;1H4
InChIKeyIALSBCJJTXYSCS-UHFFFAOYSA-N
MW1850.05 g/mol
LogP17.93
Rot. Bonds21

About 2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane

2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane (PubChem CID 158641698) has the molecular formula C92H119Cl2N27O11 and a molecular weight of 1850.05 g/mol. Its IUPAC name is 2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane.

Molecular Properties

Compound Name2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane
PubChem CID158641698
Molecular FormulaC92H119Cl2N27O11
Molecular Weight1850.05 g/mol
Exact Mass1847.90
IUPAC Name2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane
SMILESC.COC(OC)(OC)OC.COc1nc2cccnc2n1C1CCC(Nc2nc3ccccc3[nH]2)CC1.Clc1nc2ccccc2[nH]1.NC1CCC(Cc2ncccc2[N+](=O)[O-])CC1.NC1CCC(N)CC1.Nc1cccnc1NC1CCC(Nc2nc3ccccc3[nH]2)CC1.O=[N+]([O-])c1cccnc1Cl.O=[N+]([O-])c1cccnc1NC1CCC(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H22N6O.C18H20N6O2.C18H22N6.C12H17N3O2.C7H5ClN2.C6H14N2.C5H3ClN2O2.C5H12O4.CH4/c1-27-20-25-17-7-4-12-21-18(17)26(20)14-10-8-13(9-11-14)22-19-23-15-5-2-3-6-16(15)24-19;25-24(26)16-6-3-11-19-17(16)20-12-7-9-13(10-8-12)21-18-22-14-4-1-2-5-15(14)23-18;19-14-4-3-11-20-17(14)21-12-7-9-13(10-8-12)22-18-23-15-5-1-2-6-16(15)24-18;13-10-5-3-9(4-6-10)8-11-12(15(16)17)2-1-7-14-11;8-7-9-5-3-1-2-4-6(5)10-7;7-5-1-2-6(8)4-3-5;6-5-4(8(9)10)2-1-3-7-5;1-6-5(7-2,8-3)9-4;/h2-7,12-14H,8-11H2,1H3,(H2,22,23,24);1-6,11-13H,7-10H2,(H,19,20)(H2,21,22,23);1-6,11-13H,7-10,19H2,(H,20,21)(H2,22,23,24);1-2,7,9-10H,3-6,8,13H2;1-4H,(H,9,10);5-6H,1-4,7-8H2;1-3H;1-4H3;1H4
InChIKeyIALSBCJJTXYSCS-UHFFFAOYSA-N
XLogP17.93
TPSA536.79 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001850.05
LogP ≤ 517.93
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane with MolForge

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Related Compounds

3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2,4-dimethylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 157625623
CID 157752526
CID 157752526
lithium;benzene;6-chloro-7-methyl-8-phenylpurine;bis(6-chloro-9-methyl-8-phenylpurine);bis(6-chloro-9-methylpurine);6-chloro-7-methyl-9H-purin-7-ium;methane;nitrobenzene
CID 158194817
1H-benzimidazole;2-(benzimidazol-1-yl)-5-nitro-N-(oxan-4-yl)-6-phenylpyrimidin-4-amine;2-(benzimidazol-1-yl)-9-(oxan-4-yl)-6-phenyl-7H-purin-8-one;2-chloro-5-nitro-N-(oxan-4-yl)-6-phenylpyrimidin-4-amine;2,4-dichloro-5-nitro-6-phenylpyrimidine;oxan-4-amine
CID 158319516
[4-[(3-amino-2-pyridinyl)methyl]piperidin-1-yl]-(1H-benzimidazol-2-yl)methanone;1H-benzimidazol-2-yl-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone;1H-benzimidazol-2-yl-[4-[(3-nitro-2-pyridinyl)methyl]piperidin-1-yl]methanone;methane;3-nitro-2-(piperidin-4-ylmethyl)pyridine;tetramethoxymethane;hydrochloride
CID 159318516
1H-benzimidazole;2-(benzimidazol-1-yl)-5-nitro-N-(oxan-4-yl)-6-phenylpyrimidin-4-amine;2-(benzimidazol-1-yl)-9-(oxan-4-yl)-6-phenyl-7H-purin-8-one;2-chloro-6-cyclohexa-2,4-dien-1-yl-5-nitro-N-(oxan-4-yl)pyrimidin-4-amine;2,4-dichloro-5-nitro-6-phenylpyrimidine;oxan-4-amine
CID 159560311
2-chloro-3-nitropyridine;5-cyclohexyl-1H-imidazole;2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-nitropyridine;2-[4-(1H-imidazol-5-yl)piperidin-1-yl]pyridin-3-amine;hydrochloride
CID 159609327
2-chloro-N-[4-(1-methylpyrazol-4-yl)phenyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;diethoxymethoxyethane;1-methylpyrazol-4-amine;4-(1-methylpyrazol-4-yl)aniline;2-N-(1-methylpyrazol-4-yl)-4-N-[4-(1-methylpyrazol-4-yl)phenyl]-5-nitropyrimidine-2,4-diamine;N-(1-methylpyrazol-4-yl)-9-[4-(1-methylpyrazol-4-yl)phenyl]purin-2-amine;2-N-(1-methylpyrazol-4-yl)-4-N-[4-(1-methylpyrazol-4-yl)phenyl]pyrimidine-2,4,5-triamine
CID 160154532
3-[1-[5-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;3-[1-(8,9-dimethylpurin-6-yl)piperidin-4-yl]-1H-benzimidazol-2-one;methane;3-[1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;3-piperidin-4-yl-1H-benzimidazol-2-one;1,1,1-trimethoxyethane
CID 160279937
2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-[4-[3-(3-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;N-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-propan-2-ylimidazo[1,2-a]pyrazin-3-amine
CID 160531724
3-(3H-benzimidazol-5-yl)-5-chlorotriazolo[4,5-b]pyridine;3-(3H-benzimidazol-5-yl)-5-pyridin-4-yltriazolo[4,5-b]pyridine;N-(6-chloro-3-nitro-2-pyridinyl)-3H-benzimidazol-5-amine;methane;pyridin-4-ylboronic acid
CID 160786158
8-N-benzyl-3-N-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N,8-N-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;3-N-(3-chlorophenyl)-8-N-methyl-2-phenylimidazo[1,2-a]pyrazine-3,8-diamine;N-(4-nitrophenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;4-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,4-diamine
CID 161068160

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane?
The IUPAC name of 2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane (CID 158641698) is 2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane.
What is the SMILES notation for 2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane?
The canonical SMILES for 2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane is C.COC(OC)(OC)OC.COc1nc2cccnc2n1C1CCC(Nc2nc3ccccc3[nH]2)CC1.Clc1nc2ccccc2[nH]1.NC1CCC(Cc2ncccc2[N+](=O)[O-])CC1.NC1CCC(N)CC1.Nc1cccnc1NC1CCC(Nc2nc3ccccc3[nH]2)CC1.O=[N+]([O-])c1cccnc1Cl.O=[N+]([O-])c1cccnc1NC1CCC(Nc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane?
The InChIKey is IALSBCJJTXYSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O.C18H20N6O2.C18H22N6.C12H17N3O2.C7H5ClN2.C6H14N2.C5H3ClN2O2.C5H12O4.CH4/c1-27-20-25-17-7-4-12-21-18(17)26(20)14-10-8-13(9-11-14)22-19-23-15-5-2-3-6-16(15)24-19;25-24(26)16-6-3-11-19-17(16)20-12-7-9-13(10-8-12)21-18-22-14-4-1-2-5-15(14)23-18;19-14-4-3-11-20-17(14)21-12-7-9-13(10-8-12)22-18-23-15-5-1-2-6-16(15)24-18;13-10-5-3-9(4-6-10)8-11-12(15(16)17)2-1-7-14-11;8-7-9-5-3-1-2-4-6(5)10-7;7-5-1-2-6(8)4-3-5;6-5-4(8(9)10)2-1-3-7-5;1-6-5(7-2,8-3)9-4;/h2-7,12-14H,8-11H2,1H3,(H2,22,23,24);1-6,11-13H,7-10H2,(H,19,20)(H2,21,22,23);1-6,11-13H,7-10,19H2,(H,20,21)(H2,22,23,24);1-2,7,9-10H,3-6,8,13H2;1-4H,(H,9,10);5-6H,1-4,7-8H2;1-3H;1-4H3;1H4.
What are the key properties of 2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane?
2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane has a molecular weight of 1850.05 g/mol, XLogP of 17.93, 21 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridine-2,3-diamine;4-N-(1H-benzimidazol-2-yl)-1-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine;2-chloro-1H-benzimidazole;2-chloro-3-nitropyridine;cyclohexane-1,4-diamine;methane;N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1H-benzimidazol-2-amine;4-[(3-nitro-2-pyridinyl)methyl]cyclohexan-1-amine;tetramethoxymethane is sourced from PubChem (CID 158641698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).