4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide

C21H21ClN4O2 — CID 17407479

IUPAC4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C21H21ClN4O2/c1-14-24-17-5-2-3-6-18(17)25(14)12-10-23-21(28)16-9-8-15(22)13-19(16)26-11-4-7-20(26)27/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,28)
InChIKeyZHZVOMDLWAGJDB-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.55
Rot. Bonds5

About 4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 17407479) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID17407479
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C21H21ClN4O2/c1-14-24-17-5-2-3-6-18(17)25(14)12-10-23-21(28)16-9-8-15(22)13-19(16)26-11-4-7-20(26)27/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,28)
InChIKeyZHZVOMDLWAGJDB-UHFFFAOYSA-N
XLogP3.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(2-fluorophenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 39996714
4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 32606773
2-hydroxy-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31848598
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 26443914
4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34249962
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
CID 9153351
4-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 26690017
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 35800173
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56585348
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 55414270
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 36846071

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 17407479) is 4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide is Cc1nc2ccccc2n1CCNC(=O)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ZHZVOMDLWAGJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14-24-17-5-2-3-6-18(17)25(14)12-10-23-21(28)16-9-8-15(22)13-19(16)26-11-4-7-20(26)27/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,28).
What are the key properties of 4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 396.88 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 17407479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).