3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine

C21H15ClN4O — CID 122195765

IUPAC3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccccn3c2-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C21H15ClN4O/c1-27-15-8-5-13(6-9-15)19-20(26-11-3-2-4-18(26)25-19)21-23-16-10-7-14(22)12-17(16)24-21/h2-12H,1H3,(H,23,24)
InChIKeyVNPAJPPBETXHQH-UHFFFAOYSA-N
MW374.83 g/mol
LogP5.21
Rot. Bonds3

About 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine

3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 122195765) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
PubChem CID122195765
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccccn3c2-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C21H15ClN4O/c1-27-15-8-5-13(6-9-15)19-20(26-11-3-2-4-18(26)25-19)21-23-16-10-7-14(22)12-17(16)24-21/h2-12H,1H3,(H,23,24)
InChIKeyVNPAJPPBETXHQH-UHFFFAOYSA-N
XLogP5.21
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine 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 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine (CID 122195765) is 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine is COc1ccc(-c2nc3ccccn3c2-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is VNPAJPPBETXHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c1-27-15-8-5-13(6-9-15)19-20(26-11-3-2-4-18(26)25-19)21-23-16-10-7-14(22)12-17(16)24-21/h2-12H,1H3,(H,23,24).
What are the key properties of 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine?
3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 374.83 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 122195765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).