N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide

C16H15ClN4O — CID 71656918

IUPACN-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2[nH]c(N(C)c3cccc(Cl)c3)nc12
InChIInChI=1S/C16H15ClN4O/c1-10(22)18-13-7-4-8-14-15(13)20-16(19-14)21(2)12-6-3-5-11(17)9-12/h3-9H,1-2H3,(H,18,22)(H,19,20)
InChIKeyGMRUFVBWPMEZCH-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.94
Rot. Bonds3

About N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide

N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide (PubChem CID 71656918) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide
PubChem CID71656918
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC NameN-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2[nH]c(N(C)c3cccc(Cl)c3)nc12
InChIInChI=1S/C16H15ClN4O/c1-10(22)18-13-7-4-8-14-15(13)20-16(19-14)21(2)12-6-3-5-11(17)9-12/h3-9H,1-2H3,(H,18,22)(H,19,20)
InChIKeyGMRUFVBWPMEZCH-UHFFFAOYSA-N
XLogP3.94
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide?
The IUPAC name of N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide (CID 71656918) is N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide?
The canonical SMILES for N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide is CC(=O)Nc1cccc2[nH]c(N(C)c3cccc(Cl)c3)nc12.
What is the InChIKey of N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide?
The InChIKey is GMRUFVBWPMEZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-10(22)18-13-7-4-8-14-15(13)20-16(19-14)21(2)12-6-3-5-11(17)9-12/h3-9H,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide?
N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide has a molecular weight of 314.78 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide is sourced from PubChem (CID 71656918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).