3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide

C21H21ClN4O3 — CID 139000111

IUPAC3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide
SMILESCN(CC(=O)N1CCOCC1)C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C21H21ClN4O3/c1-24(13-20(27)25-8-10-29-11-9-25)21(28)15-2-7-18-19(12-15)26(14-23-18)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3
InChIKeyJLBDLAMCOSAYEI-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.61
Rot. Bonds4

About 3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide

3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide (PubChem CID 139000111) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide
PubChem CID139000111
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide
SMILESCN(CC(=O)N1CCOCC1)C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C21H21ClN4O3/c1-24(13-20(27)25-8-10-29-11-9-25)21(28)15-2-7-18-19(12-15)26(14-23-18)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3
InChIKeyJLBDLAMCOSAYEI-UHFFFAOYSA-N
XLogP2.61
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
2-N,5-N-dimethyl-5-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2,5-dicarboxamide
CID 146084949
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 60707021
[3-(4-chlorophenyl)benzimidazol-5-yl]-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone
CID 128721783
3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830
3-(3-chlorophenyl)benzimidazole-5-carboxylic acid
CID 82790283
4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 80979892
N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 43908262
4-(benzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24549547
4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 31370181
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 4190375

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide (CID 139000111) is 3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide is CN(CC(=O)N1CCOCC1)C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide?
The InChIKey is JLBDLAMCOSAYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-24(13-20(27)25-8-10-29-11-9-25)21(28)15-2-7-18-19(12-15)26(14-23-18)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide?
3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 139000111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).