(4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone

C14H9Cl2N3O — CID 67627185

IUPAC(4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone
SMILESNc1cccc2[nH]c(C(=O)c3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C14H9Cl2N3O/c15-7-3-1-4-8(16)11(7)13(20)14-18-10-6-2-5-9(17)12(10)19-14/h1-6H,17H2,(H,18,19)
InChIKeyXTLCGDYNIKIWLZ-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.68
Rot. Bonds2

About (4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone

(4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone (PubChem CID 67627185) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is (4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone
PubChem CID67627185
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name(4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone
SMILESNc1cccc2[nH]c(C(=O)c3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C14H9Cl2N3O/c15-7-3-1-4-8(16)11(7)13(20)14-18-10-6-2-5-9(17)12(10)19-14/h1-6H,17H2,(H,18,19)
InChIKeyXTLCGDYNIKIWLZ-UHFFFAOYSA-N
XLogP3.68
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone 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 (4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone?
The IUPAC name of (4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone (CID 67627185) is (4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for (4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone?
The canonical SMILES for (4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone is Nc1cccc2[nH]c(C(=O)c3c(Cl)cccc3Cl)nc12.
What is the InChIKey of (4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone?
The InChIKey is XTLCGDYNIKIWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-7-3-1-4-8(16)11(7)13(20)14-18-10-6-2-5-9(17)12(10)19-14/h1-6H,17H2,(H,18,19).
What are the key properties of (4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone?
(4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone has a molecular weight of 306.15 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 67627185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).