5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole

C17H12Cl2N4 — CID 130237659

IUPAC5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole
SMILESCc1nccn1-c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C17H12Cl2N4/c1-10-20-6-7-23(10)12-4-2-11(3-5-12)17-21-15-8-13(18)14(19)9-16(15)22-17/h2-9H,1H3,(H,21,22)
InChIKeyNYNNGGSFPOLCMI-UHFFFAOYSA-N
MW343.22 g/mol
LogP5.03
Rot. Bonds2

About 5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole

5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole (PubChem CID 130237659) has the molecular formula C17H12Cl2N4 and a molecular weight of 343.22 g/mol. Its IUPAC name is 5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole
PubChem CID130237659
Molecular FormulaC17H12Cl2N4
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole
SMILESCc1nccn1-c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C17H12Cl2N4/c1-10-20-6-7-23(10)12-4-2-11(3-5-12)17-21-15-8-13(18)14(19)9-16(15)22-17/h2-9H,1H3,(H,21,22)
InChIKeyNYNNGGSFPOLCMI-UHFFFAOYSA-N
XLogP5.03
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.22
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole 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 5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole (CID 130237659) is 5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole is Cc1nccn1-c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of 5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole?
The InChIKey is NYNNGGSFPOLCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4/c1-10-20-6-7-23(10)12-4-2-11(3-5-12)17-21-15-8-13(18)14(19)9-16(15)22-17/h2-9H,1H3,(H,21,22).
What are the key properties of 5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole?
5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole has a molecular weight of 343.22 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 130237659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).