N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide

C25H30N4O — CID 69248116

IUPACN-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)N(C)C2CCCN(C3CCC3)C2)cc1
InChIInChI=1S/C25H30N4O/c1-18-26-23-10-3-4-11-24(23)29(18)21-14-12-19(13-15-21)25(30)27(2)22-9-6-16-28(17-22)20-7-5-8-20/h3-4,10-15,20,22H,5-9,16-17H2,1-2H3
InChIKeyJVFZUNCCFFAWOL-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.42
Rot. Bonds4

About N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide

N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide (PubChem CID 69248116) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
PubChem CID69248116
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)N(C)C2CCCN(C3CCC3)C2)cc1
InChIInChI=1S/C25H30N4O/c1-18-26-23-10-3-4-11-24(23)29(18)21-14-12-19(13-15-21)25(30)27(2)22-9-6-16-28(17-22)20-7-5-8-20/h3-4,10-15,20,22H,5-9,16-17H2,1-2H3
InChIKeyJVFZUNCCFFAWOL-UHFFFAOYSA-N
XLogP4.42
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 25120609
N-(1-cyclopentylpiperidin-4-yl)-N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 68761815
[4-(2-methylbenzimidazol-1-yl)phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24896761
4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide
CID 68763667
N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide
CID 68736309
N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 68761872
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide
CID 25119560
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 56682300
N-(1-cyclobutylpiperidin-4-yl)-4-indazol-2-yl-N-methylbenzamide
CID 25121654
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide
CID 69251373
N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide
CID 25121656
4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide
CID 12883727

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide?
The IUPAC name of N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide (CID 69248116) is N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide.
What is the SMILES notation for N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide?
The canonical SMILES for N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide is Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)C2CCCN(C3CCC3)C2)cc1.
What is the InChIKey of N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide?
The InChIKey is JVFZUNCCFFAWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-18-26-23-10-3-4-11-24(23)29(18)21-14-12-19(13-15-21)25(30)27(2)22-9-6-16-28(17-22)20-7-5-8-20/h3-4,10-15,20,22H,5-9,16-17H2,1-2H3.
What are the key properties of N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide?
N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide has a molecular weight of 402.54 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide is sourced from PubChem (CID 69248116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).