(2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide

C18H22N6O — CID 96532756

IUPAC(2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1nc2ccccc2n1C1CCCCC1)n1cncn1
InChIInChI=1S/C18H22N6O/c1-13(23-12-19-11-20-23)17(25)22-18-21-15-9-5-6-10-16(15)24(18)14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3,(H,21,22,25)/t13-/m1/s1
InChIKeyKHVDHSBILPDMSK-CYBMUJFWSA-N
MW338.42 g/mol
LogP3.33
Rot. Bonds4

About (2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 96532756) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID96532756
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1nc2ccccc2n1C1CCCCC1)n1cncn1
InChIInChI=1S/C18H22N6O/c1-13(23-12-19-11-20-23)17(25)22-18-21-15-9-5-6-10-16(15)24(18)14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3,(H,21,22,25)/t13-/m1/s1
InChIKeyKHVDHSBILPDMSK-CYBMUJFWSA-N
XLogP3.33
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732157
N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide
CID 47066357
4-amino-N-(1-cyclohexylbenzimidazol-2-yl)pentanamide;hydrochloride
CID 120560614
N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 47078417
N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 47155435
cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95348568
N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 52655657
cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94103495
2-(4-acetamidophenyl)-N-(1-cyclopentylbenzimidazol-2-yl)acetamide
CID 136527419
N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide
CID 73051603
N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 103860246
N-(1-cyclopentylbenzimidazol-2-yl)-2-methylpyridine-4-carboxamide
CID 136538090

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide (CID 96532756) is (2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide is C[C@H](C(=O)Nc1nc2ccccc2n1C1CCCCC1)n1cncn1.
What is the InChIKey of (2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KHVDHSBILPDMSK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13(23-12-19-11-20-23)17(25)22-18-21-15-9-5-6-10-16(15)24(18)14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3,(H,21,22,25)/t13-/m1/s1.
What are the key properties of (2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 338.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 96532756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).