1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide

C23H28N4O — CID 46975986

IUPAC1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NC(CCN3CCCCC3)c3ccccc3)ccc21
InChIInChI=1S/C23H28N4O/c1-26-17-24-21-16-19(10-11-22(21)26)23(28)25-20(18-8-4-2-5-9-18)12-15-27-13-6-3-7-14-27/h2,4-5,8-11,16-17,20H,3,6-7,12-15H2,1H3,(H,25,28)
InChIKeyMKMLBJXDHMPKOW-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.92
Rot. Bonds6

About 1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide

1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide (PubChem CID 46975986) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
PubChem CID46975986
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NC(CCN3CCCCC3)c3ccccc3)ccc21
InChIInChI=1S/C23H28N4O/c1-26-17-24-21-16-19(10-11-22(21)26)23(28)25-20(18-8-4-2-5-9-18)12-15-27-13-6-3-7-14-27/h2,4-5,8-11,16-17,20H,3,6-7,12-15H2,1H3,(H,25,28)
InChIKeyMKMLBJXDHMPKOW-UHFFFAOYSA-N
XLogP3.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzhydryl-1-methylbenzimidazole-5-carboxamide
CID 100775960
1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide
CID 100775917
1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid
CID 44823926
N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53041061
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 90380118
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53180053
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide
CID 71712096
1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide
CID 95139049
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide (CID 46975986) is 1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)NC(CCN3CCCCC3)c3ccccc3)ccc21.
What is the InChIKey of 1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The InChIKey is MKMLBJXDHMPKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-26-17-24-21-16-19(10-11-22(21)26)23(28)25-20(18-8-4-2-5-9-18)12-15-27-13-6-3-7-14-27/h2,4-5,8-11,16-17,20H,3,6-7,12-15H2,1H3,(H,25,28).
What are the key properties of 1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 46975986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).