N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C18H27ClN4O — CID 119732157

IUPACN-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1nc2ccccc2n1C1CCCCC1.Cl
InChIInChI=1S/C18H26N4O.ClH/c1-13(12-19-2)17(23)21-18-20-15-10-6-7-11-16(15)22(18)14-8-4-3-5-9-14;/h6-7,10-11,13-14,19H,3-5,8-9,12H2,1-2H3,(H,20,21,23);1H
InChIKeyYQVNQBINYYZLPG-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.76
Rot. Bonds5

About N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119732157) has the molecular formula C18H27ClN4O and a molecular weight of 350.89 g/mol. Its IUPAC name is N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119732157
Molecular FormulaC18H27ClN4O
Molecular Weight350.89 g/mol
Exact Mass350.19
IUPAC NameN-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1nc2ccccc2n1C1CCCCC1.Cl
InChIInChI=1S/C18H26N4O.ClH/c1-13(12-19-2)17(23)21-18-20-15-10-6-7-11-16(15)22(18)14-8-4-3-5-9-14;/h6-7,10-11,13-14,19H,3-5,8-9,12H2,1-2H3,(H,20,21,23);1H
InChIKeyYQVNQBINYYZLPG-UHFFFAOYSA-N
XLogP3.76
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-cyclohexylbenzimidazol-2-yl)pentanamide;hydrochloride
CID 120560614
N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide
CID 47066357
(2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 96532756
N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 47078417
3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 119951926
2-(4-acetamidophenyl)-N-(1-cyclopentylbenzimidazol-2-yl)acetamide
CID 136527419
4-(aminomethyl)-N-(1-cyclopentylbenzimidazol-2-yl)benzamide;hydrochloride
CID 119332720
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
1-cyclopropyl-N-methylbenzimidazol-2-amine
CID 21043921
N-(1-cyclopentylbenzimidazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 119799593
N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78892320

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119732157) is N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)Nc1nc2ccccc2n1C1CCCCC1.Cl.
What is the InChIKey of N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is YQVNQBINYYZLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O.ClH/c1-13(12-19-2)17(23)21-18-20-15-10-6-7-11-16(15)22(18)14-8-4-3-5-9-14;/h6-7,10-11,13-14,19H,3-5,8-9,12H2,1-2H3,(H,20,21,23);1H.
What are the key properties of N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119732157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).