N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)

C173H228N26O5S7 — CID 160887641

IUPACN-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)
SMILESCC(=O)CSc1nc2ccccc2n1C(C)C.CC(C)n1c(SCCN2CCOCC2)nc2ccccc21.CCC(C)NC(=O)c1ccc(C(C)C)c2ccccc12.CCCCNC(=O)c1cc(C(C)C)c2ccccc2c1.CCCNC(=O)c1ccc2c(c1)ncn2C(C)C.CCCSc1nc2ccccc2n1C(C)C.CCCSc1nc2ccccc2n1C(C)C.CCSc1nc2ccccc2n1C(C)C.CCc1nc2ccccc2n1C(C)C.CSc1nc2ccccc2n1C(C)C.CSc1nc2ccccc2n1C(C)C.Cc1nc2ccccc2n1C(C)C.Cc1nc2ccccc2n1C(C)C
InChIInChI=1S/2C18H23NO.C16H23N3OS.C14H19N3O.C13H16N2OS.2C13H18N2S.C12H16N2S.C12H16N2.2C11H14N2S.2C11H14N2/c1-5-13(4)19-18(20)17-11-10-14(12(2)3)15-8-6-7-9-16(15)17;1-4-5-10-19-18(20)15-11-14-8-6-7-9-16(14)17(12-15)13(2)3;1-13(2)19-15-6-4-3-5-14(15)17-16(19)21-12-9-18-7-10-20-11-8-18;1-4-7-15-14(18)11-5-6-13-12(8-11)16-9-17(13)10(2)3;1-9(2)15-12-7-5-4-6-11(12)14-13(15)17-8-10(3)16;2*1-4-9-16-13-14-11-7-5-6-8-12(11)15(13)10(2)3;1-4-15-12-13-10-7-5-6-8-11(10)14(12)9(2)3;1-4-12-13-10-7-5-6-8-11(10)14(12)9(2)3;2*1-8(2)13-10-7-5-4-6-9(10)12-11(13)14-3;2*1-8(2)13-9(3)12-10-6-4-5-7-11(10)13/h6-13H,5H2,1-4H3,(H,19,20);6-9,11-13H,4-5,10H2,1-3H3,(H,19,20);3-6,13H,7-12H2,1-2H3;5-6,8-10H,4,7H2,1-3H3,(H,15,18);4-7,9H,8H2,1-3H3;2*5-8,10H,4,9H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3
InChIKeySNVUIFJIFNUHCM-UHFFFAOYSA-N
MW2976.37 g/mol
LogP45.76
Rot. Bonds41

About N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)

N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole) (PubChem CID 160887641) has the molecular formula C173H228N26O5S7 and a molecular weight of 2976.37 g/mol. Its IUPAC name is N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole).

Molecular Properties

Compound NameN-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)
PubChem CID160887641
Molecular FormulaC173H228N26O5S7
Molecular Weight2976.37 g/mol
Exact Mass2973.64
IUPAC NameN-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)
SMILESCC(=O)CSc1nc2ccccc2n1C(C)C.CC(C)n1c(SCCN2CCOCC2)nc2ccccc21.CCC(C)NC(=O)c1ccc(C(C)C)c2ccccc12.CCCCNC(=O)c1cc(C(C)C)c2ccccc2c1.CCCNC(=O)c1ccc2c(c1)ncn2C(C)C.CCCSc1nc2ccccc2n1C(C)C.CCCSc1nc2ccccc2n1C(C)C.CCSc1nc2ccccc2n1C(C)C.CCc1nc2ccccc2n1C(C)C.CSc1nc2ccccc2n1C(C)C.CSc1nc2ccccc2n1C(C)C.Cc1nc2ccccc2n1C(C)C.Cc1nc2ccccc2n1C(C)C
InChIInChI=1S/2C18H23NO.C16H23N3OS.C14H19N3O.C13H16N2OS.2C13H18N2S.C12H16N2S.C12H16N2.2C11H14N2S.2C11H14N2/c1-5-13(4)19-18(20)17-11-10-14(12(2)3)15-8-6-7-9-16(15)17;1-4-5-10-19-18(20)15-11-14-8-6-7-9-16(14)17(12-15)13(2)3;1-13(2)19-15-6-4-3-5-14(15)17-16(19)21-12-9-18-7-10-20-11-8-18;1-4-7-15-14(18)11-5-6-13-12(8-11)16-9-17(13)10(2)3;1-9(2)15-12-7-5-4-6-11(12)14-13(15)17-8-10(3)16;2*1-4-9-16-13-14-11-7-5-6-8-12(11)15(13)10(2)3;1-4-15-12-13-10-7-5-6-8-11(10)14(12)9(2)3;1-4-12-13-10-7-5-6-8-11(10)14(12)9(2)3;2*1-8(2)13-10-7-5-4-6-9(10)12-11(13)14-3;2*1-8(2)13-9(3)12-10-6-4-5-7-11(10)13/h6-13H,5H2,1-4H3,(H,19,20);6-9,11-13H,4-5,10H2,1-3H3,(H,19,20);3-6,13H,7-12H2,1-2H3;5-6,8-10H,4,7H2,1-3H3,(H,15,18);4-7,9H,8H2,1-3H3;2*5-8,10H,4,9H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3
InChIKeySNVUIFJIFNUHCM-UHFFFAOYSA-N
XLogP45.76
TPSA312.86 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds41
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002976.37
LogP ≤ 545.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole) with MolForge

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Related Compounds

5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123870534
N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)
CID 157482020
CID 158286811
CID 158286811
N-[2-(diethylamino)ethyl]-N-ethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
CID 158546620
5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 158712869
5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-methyl-1-[4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoyl]piperidine-4-carboxamide;5-naphthalen-2-yl-8-[[4-(4-propan-2-ylcyclohexyl)phenyl]methyl]imidazo[1,2-a]pyridine
CID 159145456
CID 159350570
CID 159350570
2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one
CID 159621640
pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide
CID 159730234
5-[8-[4-(4-Butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one
CID 160969734
heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide
CID 161029350
[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[1-(cyclopropylmethyl)-5-phenylpyrrol-2-yl]-1-methylbenzimidazol-5-yl]methanone;[(3aS,7aS)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[1-(cyclopropylmethyl)-5-phenylpyrrol-2-yl]-1-methylbenzimidazol-5-yl]methanone;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl-[2-[5-(cyclopropylmethyl)-4-phenylcyclopenta-1,3-dien-1-yl]-1-methyl-1H-inden-5-yl]methanone
CID 163604669

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)?
The IUPAC name of N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole) (CID 160887641) is N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole).
What is the SMILES notation for N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)?
The canonical SMILES for N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole) is CC(=O)CSc1nc2ccccc2n1C(C)C.CC(C)n1c(SCCN2CCOCC2)nc2ccccc21.CCC(C)NC(=O)c1ccc(C(C)C)c2ccccc12.CCCCNC(=O)c1cc(C(C)C)c2ccccc2c1.CCCNC(=O)c1ccc2c(c1)ncn2C(C)C.CCCSc1nc2ccccc2n1C(C)C.CCCSc1nc2ccccc2n1C(C)C.CCSc1nc2ccccc2n1C(C)C.CCc1nc2ccccc2n1C(C)C.CSc1nc2ccccc2n1C(C)C.CSc1nc2ccccc2n1C(C)C.Cc1nc2ccccc2n1C(C)C.Cc1nc2ccccc2n1C(C)C.
What is the InChIKey of N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)?
The InChIKey is SNVUIFJIFNUHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H23NO.C16H23N3OS.C14H19N3O.C13H16N2OS.2C13H18N2S.C12H16N2S.C12H16N2.2C11H14N2S.2C11H14N2/c1-5-13(4)19-18(20)17-11-10-14(12(2)3)15-8-6-7-9-16(15)17;1-4-5-10-19-18(20)15-11-14-8-6-7-9-16(14)17(12-15)13(2)3;1-13(2)19-15-6-4-3-5-14(15)17-16(19)21-12-9-18-7-10-20-11-8-18;1-4-7-15-14(18)11-5-6-13-12(8-11)16-9-17(13)10(2)3;1-9(2)15-12-7-5-4-6-11(12)14-13(15)17-8-10(3)16;2*1-4-9-16-13-14-11-7-5-6-8-12(11)15(13)10(2)3;1-4-15-12-13-10-7-5-6-8-11(10)14(12)9(2)3;1-4-12-13-10-7-5-6-8-11(10)14(12)9(2)3;2*1-8(2)13-10-7-5-4-6-9(10)12-11(13)14-3;2*1-8(2)13-9(3)12-10-6-4-5-7-11(10)13/h6-13H,5H2,1-4H3,(H,19,20);6-9,11-13H,4-5,10H2,1-3H3,(H,19,20);3-6,13H,7-12H2,1-2H3;5-6,8-10H,4,7H2,1-3H3,(H,15,18);4-7,9H,8H2,1-3H3;2*5-8,10H,4,9H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3.
What are the key properties of N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)?
N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole) has a molecular weight of 2976.37 g/mol, XLogP of 45.76, 41 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-ethylsulfanyl-1-propan-2-ylbenzimidazole;bis(2-methyl-1-propan-2-ylbenzimidazole);bis(2-methylsulfanyl-1-propan-2-ylbenzimidazole);4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole) is sourced from PubChem (CID 160887641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).