2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide

C19H19ClN4O3 — CID 55836005

IUPAC2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)c2ccccc21
InChIInChI=1S/C19H19ClN4O3/c1-3-23-15-6-4-5-7-16(15)24(19(23)27)11-17(25)22-12-8-9-14(20)13(10-12)18(26)21-2/h4-10H,3,11H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyRURLTLZPGZDRPO-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.47
Rot. Bonds5

About 2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide

2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide (PubChem CID 55836005) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
PubChem CID55836005
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)c2ccccc21
InChIInChI=1S/C19H19ClN4O3/c1-3-23-15-6-4-5-7-16(15)24(19(23)27)11-17(25)22-12-8-9-14(20)13(10-12)18(26)21-2/h4-10H,3,11H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyRURLTLZPGZDRPO-UHFFFAOYSA-N
XLogP2.47
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 24609226
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110882347
2-chloro-N,N-diethyl-4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzamide
CID 55673325
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 25299288
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24555151
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38034884
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46643858
2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
CID 62835283
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 50814276

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide (CID 55836005) is 2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide is CCn1c(=O)n(CC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)c2ccccc21.
What is the InChIKey of 2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide?
The InChIKey is RURLTLZPGZDRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-3-23-15-6-4-5-7-16(15)24(19(23)27)11-17(25)22-12-8-9-14(20)13(10-12)18(26)21-2/h4-10H,3,11H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide?
2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide has a molecular weight of 386.84 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 55836005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).