1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide

C21H23FN4O — CID 20886895

IUPAC1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1
InChIInChI=1S/C21H23FN4O/c1-23-20(27)15-10-12-25(13-11-15)21-24-18-8-4-5-9-19(18)26(21)14-16-6-2-3-7-17(16)22/h2-9,15H,10-14H2,1H3,(H,23,27)
InChIKeyBBBAREUEYJBKEU-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.19
Rot. Bonds4

About 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide

1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 20886895) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide
PubChem CID20886895
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1
InChIInChI=1S/C21H23FN4O/c1-23-20(27)15-10-12-25(13-11-15)21-24-18-8-4-5-9-19(18)26(21)14-16-6-2-3-7-17(16)22/h2-9,15H,10-14H2,1H3,(H,23,27)
InChIKeyBBBAREUEYJBKEU-UHFFFAOYSA-N
XLogP3.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 6620028
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 20886909
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20882851
ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
CID 6620147
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
CID 20882871
tert-butyl N-[(3S)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-yl]carbamate
CID 97174166
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20882882
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883178
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716313
N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887026
N-(2,4-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887087
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide (CID 20886895) is 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is BBBAREUEYJBKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-23-20(27)15-10-12-25(13-11-15)21-24-18-8-4-5-9-19(18)26(21)14-16-6-2-3-7-17(16)22/h2-9,15H,10-14H2,1H3,(H,23,27).
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide?
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 20886895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).