2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol

C24H31N3O — CID 142545693

IUPAC2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol
SMILESCNCCCc1c(O)ccc2c1nc(Cc1ccccc1)n2C1CCCCC1
InChIInChI=1S/C24H31N3O/c1-25-16-8-13-20-22(28)15-14-21-24(20)26-23(17-18-9-4-2-5-10-18)27(21)19-11-6-3-7-12-19/h2,4-5,9-10,14-15,19,25,28H,3,6-8,11-13,16-17H2,1H3
InChIKeyNEWNLCBTGLJKEJ-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.99
Rot. Bonds7

About 2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol

2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol (PubChem CID 142545693) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol.

Molecular Properties

Compound Name2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol
PubChem CID142545693
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol
SMILESCNCCCc1c(O)ccc2c1nc(Cc1ccccc1)n2C1CCCCC1
InChIInChI=1S/C24H31N3O/c1-25-16-8-13-20-22(28)15-14-21-24(20)26-23(17-18-9-4-2-5-10-18)27(21)19-11-6-3-7-12-19/h2,4-5,9-10,14-15,19,25,28H,3,6-8,11-13,16-17H2,1H3
InChIKeyNEWNLCBTGLJKEJ-UHFFFAOYSA-N
XLogP4.99
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde
CID 142546325
2-benzyl-1-cyclopropylbenzimidazol-5-amine
CID 82486059
3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 61362176
methyl (7S)-2-benzyl-3-[(1R,3R)-3-ethylcyclohexyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 176983491
methyl (7S)-2-benzyl-7-methyl-3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 142546276
methyl (7S)-2-benzyl-3-[(1S,3S)-3-cyanocyclohexyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 142545880
formaldehyde;4-[5-hydroxy-2-[hydroxy(phenyl)methyl]-4-[3-(methylamino)butyl]benzimidazol-1-yl]cyclohexane-1-carbaldehyde;methanol
CID 142545601
methyl (7S)-3-(azetidin-3-yl)-2-benzyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 138479153
2-[[(7S)-3-cyclohexyl-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]methyl]benzoic acid
CID 138479446
formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol
CID 142545843
2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
CID 174211213
(2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine
CID 65037851

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol?
The IUPAC name of 2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol (CID 142545693) is 2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol.
What is the SMILES notation for 2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol?
The canonical SMILES for 2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol is CNCCCc1c(O)ccc2c1nc(Cc1ccccc1)n2C1CCCCC1.
What is the InChIKey of 2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol?
The InChIKey is NEWNLCBTGLJKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-25-16-8-13-20-22(28)15-14-21-24(20)26-23(17-18-9-4-2-5-10-18)27(21)19-11-6-3-7-12-19/h2,4-5,9-10,14-15,19,25,28H,3,6-8,11-13,16-17H2,1H3.
What are the key properties of 2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol?
2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol has a molecular weight of 377.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol is sourced from PubChem (CID 142545693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).