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

C20H23ClN4O — CID 126772083

IUPACN-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.Cn1c(-c2ccc(NC(=O)C3CCCNC3)cc2)nc2ccccc21
InChIInChI=1S/C20H22N4O.ClH/c1-24-18-7-3-2-6-17(18)23-19(24)14-8-10-16(11-9-14)22-20(25)15-5-4-12-21-13-15;/h2-3,6-11,15,21H,4-5,12-13H2,1H3,(H,22,25);1H
InChIKeyNVPNMQXWZDQLAN-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.60
Rot. Bonds3

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

N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 126772083) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID126772083
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.Cn1c(-c2ccc(NC(=O)C3CCCNC3)cc2)nc2ccccc21
InChIInChI=1S/C20H22N4O.ClH/c1-24-18-7-3-2-6-17(18)23-19(24)14-8-10-16(11-9-14)22-20(25)15-5-4-12-21-13-15;/h2-3,6-11,15,21H,4-5,12-13H2,1H3,(H,22,25);1H
InChIKeyNVPNMQXWZDQLAN-UHFFFAOYSA-N
XLogP3.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119822821
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
N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119889969
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 119311516
2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide
CID 119822806
N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride
CID 119891004
(3R)-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidine-3-carboxamide
CID 81118348
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119268822
N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 43713244
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide
CID 119268823

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride (CID 126772083) is N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride is Cl.Cn1c(-c2ccc(NC(=O)C3CCCNC3)cc2)nc2ccccc21.
What is the InChIKey of N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is NVPNMQXWZDQLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.ClH/c1-24-18-7-3-2-6-17(18)23-19(24)14-8-10-16(11-9-14)22-20(25)15-5-4-12-21-13-15;/h2-3,6-11,15,21H,4-5,12-13H2,1H3,(H,22,25);1H.
What are the key properties of N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 3.60, 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]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 126772083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).