8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

C15H12ClN3O — CID 67095033

IUPAC8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1ccc2nc(-c3cccc4c3OCCN4)[nH]c2c1
InChIInChI=1S/C15H12ClN3O/c16-9-4-5-11-13(8-9)19-15(18-11)10-2-1-3-12-14(10)20-7-6-17-12/h1-5,8,17H,6-7H2,(H,18,19)
InChIKeyALTVVNYECHLICK-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.69
Rot. Bonds1

About 8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 67095033) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID67095033
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1ccc2nc(-c3cccc4c3OCCN4)[nH]c2c1
InChIInChI=1S/C15H12ClN3O/c16-9-4-5-11-13(8-9)19-15(18-11)10-2-1-3-12-14(10)20-7-6-17-12/h1-5,8,17H,6-7H2,(H,18,19)
InChIKeyALTVVNYECHLICK-UHFFFAOYSA-N
XLogP3.69
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine 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 8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (CID 67095033) is 8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine is Clc1ccc2nc(-c3cccc4c3OCCN4)[nH]c2c1.
What is the InChIKey of 8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is ALTVVNYECHLICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-9-4-5-11-13(8-9)19-15(18-11)10-2-1-3-12-14(10)20-7-6-17-12/h1-5,8,17H,6-7H2,(H,18,19).
What are the key properties of 8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 285.73 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 67095033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).