3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride

C19H21ClN4O — CID 119732171

IUPAC3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2nc3ccccc3n2-c2ccccc2)C1
InChIInChI=1S/C19H20N4O.ClH/c20-14-11-10-13(12-14)18(24)22-19-21-16-8-4-5-9-17(16)23(19)15-6-2-1-3-7-15;/h1-9,13-14H,10-12,20H2,(H,21,22,24);1H
InChIKeyNQOCVGMGTBMSGM-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.51
Rot. Bonds3

About 3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119732171) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119732171
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2nc3ccccc3n2-c2ccccc2)C1
InChIInChI=1S/C19H20N4O.ClH/c20-14-11-10-13(12-14)18(24)22-19-21-16-8-4-5-9-17(16)23(19)15-6-2-1-3-7-15;/h1-9,13-14H,10-12,20H2,(H,21,22,24);1H
InChIKeyNQOCVGMGTBMSGM-UHFFFAOYSA-N
XLogP3.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.51
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-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119732171) is 3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2nc3ccccc3n2-c2ccccc2)C1.
What is the InChIKey of 3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is NQOCVGMGTBMSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.ClH/c20-14-11-10-13(12-14)18(24)22-19-21-16-8-4-5-9-17(16)23(19)15-6-2-1-3-7-15;/h1-9,13-14H,10-12,20H2,(H,21,22,24);1H.
What are the key properties of 3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 356.86 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119732171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).