3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride

C21H25ClN4O — CID 119951926

IUPAC3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)Nc1nc2ccccc2n1C1CCCC1)c1ccccc1
InChIInChI=1S/C21H24N4O.ClH/c22-17(15-8-2-1-3-9-15)14-20(26)24-21-23-18-12-6-7-13-19(18)25(21)16-10-4-5-11-16;/h1-3,6-9,12-13,16-17H,4-5,10-11,14,22H2,(H,23,24,26);1H
InChIKeyWWUMYUCALZNXPB-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.60
Rot. Bonds5

About 3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride

3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119951926) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119951926
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)Nc1nc2ccccc2n1C1CCCC1)c1ccccc1
InChIInChI=1S/C21H24N4O.ClH/c22-17(15-8-2-1-3-9-15)14-20(26)24-21-23-18-12-6-7-13-19(18)25(21)16-10-4-5-11-16;/h1-3,6-9,12-13,16-17H,4-5,10-11,14,22H2,(H,23,24,26);1H
InChIKeyWWUMYUCALZNXPB-UHFFFAOYSA-N
XLogP4.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride (CID 119951926) is 3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)Nc1nc2ccccc2n1C1CCCC1)c1ccccc1.
What is the InChIKey of 3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is WWUMYUCALZNXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O.ClH/c22-17(15-8-2-1-3-9-15)14-20(26)24-21-23-18-12-6-7-13-19(18)25(21)16-10-4-5-11-16;/h1-3,6-9,12-13,16-17H,4-5,10-11,14,22H2,(H,23,24,26);1H.
What are the key properties of 3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).