N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C19H21ClN4O — CID 119822821

IUPACN-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1c(-c2ccc(NC(=O)C3CCNC3)cc2)nc2ccccc21
InChIInChI=1S/C19H20N4O.ClH/c1-23-17-5-3-2-4-16(17)22-18(23)13-6-8-15(9-7-13)21-19(24)14-10-11-20-12-14;/h2-9,14,20H,10-12H2,1H3,(H,21,24);1H
InChIKeyAUNDVEDXBHQDKN-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.21
Rot. Bonds3

About N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119822821) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119822821
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC NameN-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1c(-c2ccc(NC(=O)C3CCNC3)cc2)nc2ccccc21
InChIInChI=1S/C19H20N4O.ClH/c1-23-17-5-3-2-4-16(17)22-18(23)13-6-8-15(9-7-13)21-19(24)14-10-11-20-12-14;/h2-9,14,20H,10-12H2,1H3,(H,21,24);1H
InChIKeyAUNDVEDXBHQDKN-UHFFFAOYSA-N
XLogP3.21
TPSA58.95 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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 126772083
N-[4-(1-methylbenzimidazol-2-yl)phenyl]azepane-4-carboxamide
CID 167936099
3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119822799
2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide
CID 119822806
N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119889969
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119704502
N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride
CID 119891004
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 119840923
(3R)-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidine-3-carboxamide
CID 81118348
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119822821) is N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.Cn1c(-c2ccc(NC(=O)C3CCNC3)cc2)nc2ccccc21.
What is the InChIKey of N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is AUNDVEDXBHQDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.ClH/c1-23-17-5-3-2-4-16(17)22-18(23)13-6-8-15(9-7-13)21-19(24)14-10-11-20-12-14;/h2-9,14,20H,10-12H2,1H3,(H,21,24);1H.
What are the key properties of N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 356.86 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119822821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).