4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide

C26H32N4O — CID 68763667

IUPAC4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cn2cnc3ccccc32)cc1)C1CCCN(C2CCCC2)C1
InChIInChI=1S/C26H32N4O/c1-28(23-9-6-16-29(18-23)22-7-2-3-8-22)26(31)21-14-12-20(13-15-21)17-30-19-27-24-10-4-5-11-25(24)30/h4-5,10-15,19,22-23H,2-3,6-9,16-18H2,1H3
InChIKeyMCHHIKHTDRMIGS-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.56
Rot. Bonds5

About 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide

4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide (PubChem CID 68763667) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide
PubChem CID68763667
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cn2cnc3ccccc32)cc1)C1CCCN(C2CCCC2)C1
InChIInChI=1S/C26H32N4O/c1-28(23-9-6-16-29(18-23)22-7-2-3-8-22)26(31)21-14-12-20(13-15-21)17-30-19-27-24-10-4-5-11-25(24)30/h4-5,10-15,19,22-23H,2-3,6-9,16-18H2,1H3
InChIKeyMCHHIKHTDRMIGS-UHFFFAOYSA-N
XLogP4.56
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide
CID 69251373
N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 69248116
4-[[4-(benzimidazol-1-ylmethyl)benzoyl]-methylamino]-2-tert-butylpiperidine-1-carboxylic acid
CID 68796977
N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 25120609
1-[[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]phenyl]methyl]benzimidazole
CID 25031243
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide
CID 25119560
4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 68736106
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 56682300
4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide
CID 12883727
N-(1-cyclobutylpiperidin-4-yl)-4-indazol-2-yl-N-methylbenzamide
CID 25121654
4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25118496
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide
CID 56853456

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide?
The IUPAC name of 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide (CID 68763667) is 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide?
The canonical SMILES for 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide is CN(C(=O)c1ccc(Cn2cnc3ccccc32)cc1)C1CCCN(C2CCCC2)C1.
What is the InChIKey of 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide?
The InChIKey is MCHHIKHTDRMIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-28(23-9-6-16-29(18-23)22-7-2-3-8-22)26(31)21-14-12-20(13-15-21)17-30-19-27-24-10-4-5-11-25(24)30/h4-5,10-15,19,22-23H,2-3,6-9,16-18H2,1H3.
What are the key properties of 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide?
4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide has a molecular weight of 416.57 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide is sourced from PubChem (CID 68763667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).