N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide

C23H27N3O — CID 40633314

IUPACN-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C23H27N3O/c1-17-9-5-6-12-19(17)25-23(27)16-15-22-24-20-13-7-8-14-21(20)26(22)18-10-3-2-4-11-18/h2-4,7-8,10-11,13-14,17,19H,5-6,9,12,15-16H2,1H3,(H,25,27)/t17-,19-/m1/s1
InChIKeyVFBGUFSGNXJUPV-IEBWSBKVSA-N
MW361.49 g/mol
LogP4.65
Rot. Bonds5

About N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide

N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 40633314) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID40633314
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C23H27N3O/c1-17-9-5-6-12-19(17)25-23(27)16-15-22-24-20-13-7-8-14-21(20)26(22)18-10-3-2-4-11-18/h2-4,7-8,10-11,13-14,17,19H,5-6,9,12,15-16H2,1H3,(H,25,27)/t17-,19-/m1/s1
InChIKeyVFBGUFSGNXJUPV-IEBWSBKVSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 119600528
N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55858033
N-[(1S,2S)-2-methylcyclohexyl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 7855832
N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 20867515
3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide
CID 119459811
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 52894444
3-(1,3-benzothiazol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9404918
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
6-methyl-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 122114448

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 40633314) is N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide is C[C@@H]1CCCC[C@H]1NC(=O)CCc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is VFBGUFSGNXJUPV-IEBWSBKVSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-9-5-6-12-19(17)25-23(27)16-15-22-24-20-13-7-8-14-21(20)26(22)18-10-3-2-4-11-18/h2-4,7-8,10-11,13-14,17,19H,5-6,9,12,15-16H2,1H3,(H,25,27)/t17-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 361.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 40633314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).