4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide

C20H22N4O — CID 1462279

IUPAC4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide
SMILESCc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H22N4O/c1-15-21-18-9-5-6-10-19(18)24(15)17-11-13-23(14-12-17)20(25)22-16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3,(H,22,25)
InChIKeyAZGOCSUMCIHMMY-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.21
Rot. Bonds2

About 4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide

4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide (PubChem CID 1462279) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide
PubChem CID1462279
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide
SMILESCc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H22N4O/c1-15-21-18-9-5-6-10-19(18)24(15)17-11-13-23(14-12-17)20(25)22-16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3,(H,22,25)
InChIKeyAZGOCSUMCIHMMY-UHFFFAOYSA-N
XLogP4.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide (CID 1462279) is 4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide is Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is AZGOCSUMCIHMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-21-18-9-5-6-10-19(18)24(15)17-11-13-23(14-12-17)20(25)22-16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3,(H,22,25).
What are the key properties of 4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide?
4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 1462279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).