N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide

C22H26N4O — CID 53041061

IUPACN-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc2c(c1)ncn2CCN1CCCC1
InChIInChI=1S/C22H26N4O/c1-17-6-2-3-7-19(17)15-23-22(27)18-8-9-21-20(14-18)24-16-26(21)13-12-25-10-4-5-11-25/h2-3,6-9,14,16H,4-5,10-13,15H2,1H3,(H,23,27)
InChIKeyXRRLWFHTMXOSTI-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.37
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide

N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide (PubChem CID 53041061) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
PubChem CID53041061
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc2c(c1)ncn2CCN1CCCC1
InChIInChI=1S/C22H26N4O/c1-17-6-2-3-7-19(17)15-23-22(27)18-8-9-21-20(14-18)24-16-26(21)13-12-25-10-4-5-11-25/h2-3,6-9,14,16H,4-5,10-13,15H2,1H3,(H,23,27)
InChIKeyXRRLWFHTMXOSTI-UHFFFAOYSA-N
XLogP3.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53180053
1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 131946409
N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081205
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide
CID 18119095
1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974914
1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 46975986
N-[(2-methylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 110850726
3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052459
1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide
CID 118792168
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide (CID 53041061) is N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide is Cc1ccccc1CNC(=O)c1ccc2c(c1)ncn2CCN1CCCC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide?
The InChIKey is XRRLWFHTMXOSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-6-2-3-7-19(17)15-23-22(27)18-8-9-21-20(14-18)24-16-26(21)13-12-25-10-4-5-11-25/h2-3,6-9,14,16H,4-5,10-13,15H2,1H3,(H,23,27).
What are the key properties of N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide?
N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 53041061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).