N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide

C22H26N4O — CID 71909294

IUPACN-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2Cn2c(C)nc3ccccc32)cc1C
InChIInChI=1S/C22H26N4O/c1-15-10-11-18(13-16(15)2)24-22(27)25-12-6-7-19(25)14-26-17(3)23-20-8-4-5-9-21(20)26/h4-5,8-11,13,19H,6-7,12,14H2,1-3H3,(H,24,27)
InChIKeyHAEMGRDLIJWGTP-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.66
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide

N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71909294) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID71909294
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2Cn2c(C)nc3ccccc32)cc1C
InChIInChI=1S/C22H26N4O/c1-15-10-11-18(13-16(15)2)24-22(27)25-12-6-7-19(25)14-26-17(3)23-20-8-4-5-9-21(20)26/h4-5,8-11,13,19H,6-7,12,14H2,1-3H3,(H,24,27)
InChIKeyHAEMGRDLIJWGTP-UHFFFAOYSA-N
XLogP4.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 128823439
4-[[[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020961
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 154796770
N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide
CID 66786733
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669
(2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125162811
(2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 94516578
1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111034361
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111034360
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178656
1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 167772746

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide (CID 71909294) is N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC2Cn2c(C)nc3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is HAEMGRDLIJWGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-10-11-18(13-16(15)2)24-22(27)25-12-6-7-19(25)14-26-17(3)23-20-8-4-5-9-21(20)26/h4-5,8-11,13,19H,6-7,12,14H2,1-3H3,(H,24,27).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71909294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).