1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

C27H29N5O — CID 46108688

IUPAC1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccncc1)C1CCN(c2nc3ccccc3n2CCc2ccccc2)CC1
InChIInChI=1S/C27H29N5O/c33-26(29-20-22-10-15-28-16-11-22)23-13-17-31(18-14-23)27-30-24-8-4-5-9-25(24)32(27)19-12-21-6-2-1-3-7-21/h1-11,15-16,23H,12-14,17-20H2,(H,29,33)
InChIKeyHKDOJHIUVLQHOW-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.21
Rot. Bonds7

About 1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 46108688) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID46108688
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccncc1)C1CCN(c2nc3ccccc3n2CCc2ccccc2)CC1
InChIInChI=1S/C27H29N5O/c33-26(29-20-22-10-15-28-16-11-22)23-13-17-31(18-14-23)27-30-24-8-4-5-9-25(24)32(27)19-12-21-6-2-1-3-7-21/h1-11,15-16,23H,12-14,17-20H2,(H,29,33)
InChIKeyHKDOJHIUVLQHOW-UHFFFAOYSA-N
XLogP4.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106625
1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46108668
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20882851
1-(1-cyclopentylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46106647
N-[(3-bromophenyl)methyl]-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887020
N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106595
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509
N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 42880175
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 20886929
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883178
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 46108688) is 1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccncc1)C1CCN(c2nc3ccccc3n2CCc2ccccc2)CC1.
What is the InChIKey of 1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HKDOJHIUVLQHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c33-26(29-20-22-10-15-28-16-11-22)23-13-17-31(18-14-23)27-30-24-8-4-5-9-25(24)32(27)19-12-21-6-2-1-3-7-21/h1-11,15-16,23H,12-14,17-20H2,(H,29,33).
What are the key properties of 1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46108688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).