1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide

C20H23N5O — CID 124814493

IUPAC1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESCn1c(CN2CCC(C(=O)Nc3ccncc3)CC2)nc2ccccc21
InChIInChI=1S/C20H23N5O/c1-24-18-5-3-2-4-17(18)23-19(24)14-25-12-8-15(9-13-25)20(26)22-16-6-10-21-11-7-16/h2-7,10-11,15H,8-9,12-14H2,1H3,(H,21,22,26)
InChIKeyVMBZPCKLLSCWJA-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.82
Rot. Bonds4

About 1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide

1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 124814493) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID124814493
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESCn1c(CN2CCC(C(=O)Nc3ccncc3)CC2)nc2ccccc21
InChIInChI=1S/C20H23N5O/c1-24-18-5-3-2-4-17(18)23-19(24)14-25-12-8-15(9-13-25)20(26)22-16-6-10-21-11-7-16/h2-7,10-11,15H,8-9,12-14H2,1H3,(H,21,22,26)
InChIKeyVMBZPCKLLSCWJA-UHFFFAOYSA-N
XLogP2.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 29211136
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 124815123
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide
CID 124830583
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124814766
4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 125113468
N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 166213314
N-(3,4-dichlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124830854
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124822336

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide (CID 124814493) is 1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide is Cn1c(CN2CCC(C(=O)Nc3ccncc3)CC2)nc2ccccc21.
What is the InChIKey of 1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is VMBZPCKLLSCWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-18-5-3-2-4-17(18)23-19(24)14-25-12-8-15(9-13-25)20(26)22-16-6-10-21-11-7-16/h2-7,10-11,15H,8-9,12-14H2,1H3,(H,21,22,26).
What are the key properties of 1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 124814493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).