N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide

C22H26N4O — CID 69248313

IUPACN-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide
SMILESCc1nc2ccccc2n1Cc1ccc(C(=O)N(C)C2CCCNC2)cc1
InChIInChI=1S/C22H26N4O/c1-16-24-20-7-3-4-8-21(20)26(16)15-17-9-11-18(12-10-17)22(27)25(2)19-6-5-13-23-14-19/h3-4,7-12,19,23H,5-6,13-15H2,1-2H3
InChIKeyYIEIBLLQLCJRPH-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.22
Rot. Bonds4

About N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide

N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide (PubChem CID 69248313) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide
PubChem CID69248313
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide
SMILESCc1nc2ccccc2n1Cc1ccc(C(=O)N(C)C2CCCNC2)cc1
InChIInChI=1S/C22H26N4O/c1-16-24-20-7-3-4-8-21(20)26(16)15-17-9-11-18(12-10-17)22(27)25(2)19-6-5-13-23-14-19/h3-4,7-12,19,23H,5-6,13-15H2,1-2H3
InChIKeyYIEIBLLQLCJRPH-UHFFFAOYSA-N
XLogP3.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide
CID 25119560
N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68766913
N-methyl-N-piperidin-3-yl-4-pyrazol-1-ylbenzamide
CID 175264909
4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 68737817
4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-[1-(1-iodocyclobutyl)pyrrolidin-3-yl]-N-methylbenzamide
CID 68793503
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
N-cyclohexyl-N-ethyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 112781129
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 69248116
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 22716378

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide?
The IUPAC name of N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide (CID 69248313) is N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide.
What is the SMILES notation for N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide?
The canonical SMILES for N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide is Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)C2CCCNC2)cc1.
What is the InChIKey of N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide?
The InChIKey is YIEIBLLQLCJRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-24-20-7-3-4-8-21(20)26(16)15-17-9-11-18(12-10-17)22(27)25(2)19-6-5-13-23-14-19/h3-4,7-12,19,23H,5-6,13-15H2,1-2H3.
What are the key properties of N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide?
N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide has a molecular weight of 362.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 69248313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).