6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one

C15H11Cl2N3O2 — CID 110867323

IUPAC6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one
SMILESCc1cc2c(cc1N)[nH]c(=O)n2C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O2/c1-7-4-13-12(6-11(7)18)19-15(22)20(13)14(21)9-3-2-8(16)5-10(9)17/h2-6H,18H2,1H3,(H,19,22)
InChIKeyPDKBCCSSASQQJY-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.22
Rot. Bonds1

About 6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one

6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one (PubChem CID 110867323) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one
PubChem CID110867323
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one
SMILESCc1cc2c(cc1N)[nH]c(=O)n2C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O2/c1-7-4-13-12(6-11(7)18)19-15(22)20(13)14(21)9-3-2-8(16)5-10(9)17/h2-6H,18H2,1H3,(H,19,22)
InChIKeyPDKBCCSSASQQJY-UHFFFAOYSA-N
XLogP3.22
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-6-methyl-3-(2,3,4-trifluorobenzoyl)-1H-benzimidazol-2-one
CID 110867304
5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
CID 110874390
5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one
CID 110867224
ethyl 6-amino-5-methyl-2-oxo-3H-benzimidazole-1-carboxylate
CID 110867315
5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
CID 110874385
4-(2,4-dichlorobenzoyl)piperazine-2,6-dione
CID 66085866
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
N-(2-amino-4-bromo-6-methylphenyl)-2,4-dichlorobenzamide
CID 43549936
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
N-[4-(aminomethyl)phenyl]-5-chloro-2-oxo-3H-benzimidazole-1-carboxamide
CID 70094602
(3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 166355375
[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 166358091

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one?
The IUPAC name of 6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one (CID 110867323) is 6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one is Cc1cc2c(cc1N)[nH]c(=O)n2C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one?
The InChIKey is PDKBCCSSASQQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-7-4-13-12(6-11(7)18)19-15(22)20(13)14(21)9-3-2-8(16)5-10(9)17/h2-6H,18H2,1H3,(H,19,22).
What are the key properties of 6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one?
6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one has a molecular weight of 336.18 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 110867323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).