1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide

C31H36N4O — CID 20883178

IUPAC1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCc1ccccc1Cn1c(N2CCC(C(=O)NC(C)CCc3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C31H36N4O/c1-23-10-6-7-13-27(23)22-35-29-15-9-8-14-28(29)33-31(35)34-20-18-26(19-21-34)30(36)32-24(2)16-17-25-11-4-3-5-12-25/h3-15,24,26H,16-22H2,1-2H3,(H,32,36)
InChIKeyXNQXFMMZUFLTNL-UHFFFAOYSA-N
MW480.66 g/mol
LogP5.75
Rot. Bonds8

About 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide

1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 20883178) has the molecular formula C31H36N4O and a molecular weight of 480.66 g/mol. Its IUPAC name is 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
PubChem CID20883178
Molecular FormulaC31H36N4O
Molecular Weight480.66 g/mol
Exact Mass480.29
IUPAC Name1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCc1ccccc1Cn1c(N2CCC(C(=O)NC(C)CCc3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C31H36N4O/c1-23-10-6-7-13-27(23)22-35-29-15-9-8-14-28(29)33-31(35)34-20-18-26(19-21-34)30(36)32-24(2)16-17-25-11-4-3-5-12-25/h3-15,24,26H,16-22H2,1-2H3,(H,32,36)
InChIKeyXNQXFMMZUFLTNL-UHFFFAOYSA-N
XLogP5.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883060
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20882851
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968262
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71634624
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-methylpiperidine-4-carboxamide
CID 20886895
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 20886929
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20882882
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 6620028
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide (CID 20883178) is 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide is Cc1ccccc1Cn1c(N2CCC(C(=O)NC(C)CCc3ccccc3)CC2)nc2ccccc21.
What is the InChIKey of 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is XNQXFMMZUFLTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O/c1-23-10-6-7-13-27(23)22-35-29-15-9-8-14-28(29)33-31(35)34-20-18-26(19-21-34)30(36)32-24(2)16-17-25-11-4-3-5-12-25/h3-15,24,26H,16-22H2,1-2H3,(H,32,36).
What are the key properties of 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 480.66 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20883178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).