N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide

C25H31N5O2 — CID 70964094

IUPACN-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc3nc(C)n(C4CCNCC4)c3c2)cc1
InChIInChI=1S/C25H31N5O2/c1-4-29(5-2)25(32)18-6-9-20(10-7-18)28-24(31)19-8-11-22-23(16-19)30(17(3)27-22)21-12-14-26-15-13-21/h6-11,16,21,26H,4-5,12-15H2,1-3H3,(H,28,31)
InChIKeyFDWFBJLITJHZCZ-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.00
Rot. Bonds6

About N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide

N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide (PubChem CID 70964094) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide
PubChem CID70964094
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc3nc(C)n(C4CCNCC4)c3c2)cc1
InChIInChI=1S/C25H31N5O2/c1-4-29(5-2)25(32)18-6-9-20(10-7-18)28-24(31)19-8-11-22-23(16-19)30(17(3)27-22)21-12-14-26-15-13-21/h6-11,16,21,26H,4-5,12-15H2,1-3H3,(H,28,31)
InChIKeyFDWFBJLITJHZCZ-UHFFFAOYSA-N
XLogP4.00
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 70964039
1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
CID 83886321
N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119685390
[6-[[4-(diethylcarbamoyl)phenyl]carbamoyl]-1-(4-fluorophenyl)benzimidazol-2-yl]methyl acetate
CID 143868854
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
N-[4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840317
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide
CID 143868988
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
4-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide
CID 7817741
4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 40512293
N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide
CID 112793726

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide (CID 70964094) is N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3nc(C)n(C4CCNCC4)c3c2)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is FDWFBJLITJHZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-4-29(5-2)25(32)18-6-9-20(10-7-18)28-24(31)19-8-11-22-23(16-19)30(17(3)27-22)21-12-14-26-15-13-21/h6-11,16,21,26H,4-5,12-15H2,1-3H3,(H,28,31).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide?
N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 70964094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).