N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide

C31H36N4O — CID 123454273

IUPACN-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide
SMILESCCCN(Cc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C)C(=O)N1CCCCC1c1ccccc1
InChIInChI=1S/C31H36N4O/c1-4-17-34(31(36)35-18-9-8-12-30(35)24-10-6-5-7-11-24)21-27-19-25(14-13-22(27)2)26-15-16-28-29(20-26)33-23(3)32-28/h5-7,10-11,13-16,19-20,30H,4,8-9,12,17-18,21H2,1-3H3,(H,32,33)
InChIKeyUJQLSFPTIHROPR-UHFFFAOYSA-N
MW480.66 g/mol
LogP7.41
Rot. Bonds6

About N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide

N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide (PubChem CID 123454273) has the molecular formula C31H36N4O and a molecular weight of 480.66 g/mol. Its IUPAC name is N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide
PubChem CID123454273
Molecular FormulaC31H36N4O
Molecular Weight480.66 g/mol
Exact Mass480.29
IUPAC NameN-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide
SMILESCCCN(Cc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C)C(=O)N1CCCCC1c1ccccc1
InChIInChI=1S/C31H36N4O/c1-4-17-34(31(36)35-18-9-8-12-30(35)24-10-6-5-7-11-24)21-27-19-25(14-13-22(27)2)26-15-16-28-29(20-26)33-23(3)32-28/h5-7,10-11,13-16,19-20,30H,4,8-9,12,17-18,21H2,1-3H3,(H,32,33)
InChIKeyUJQLSFPTIHROPR-UHFFFAOYSA-N
XLogP7.41
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide
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2-benzyl-N-[[2-butoxy-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]pyrrolidine-1-carboxamide
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N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine
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(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
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[2-(3,5-difluorophenyl)piperidin-1-yl]-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 67518347
2-phenyl-1-[(2S)-2-[6-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone;sulfane
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[2-[4-[[2-fluoro-4-[1-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]piperidin-2-yl]phenyl]methyl]phenyl]azepan-1-yl]-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 123513772
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide?
The IUPAC name of N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide (CID 123454273) is N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide?
The canonical SMILES for N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide is CCCN(Cc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C)C(=O)N1CCCCC1c1ccccc1.
What is the InChIKey of N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide?
The InChIKey is UJQLSFPTIHROPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O/c1-4-17-34(31(36)35-18-9-8-12-30(35)24-10-6-5-7-11-24)21-27-19-25(14-13-22(27)2)26-15-16-28-29(20-26)33-23(3)32-28/h5-7,10-11,13-16,19-20,30H,4,8-9,12,17-18,21H2,1-3H3,(H,32,33).
What are the key properties of N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide?
N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide has a molecular weight of 480.66 g/mol, XLogP of 7.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 123454273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).