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

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Related Compounds

5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole
CID 10039811
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
5-chloro-6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 130264624
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001524
3-chloro-4-[4-(2-methylimidazol-1-yl)phenyl]benzonitrile
CID 118978742
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
5,6-dichloro-2-(3,5-difluorophenyl)-1H-benzimidazole
CID 82005304
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012
[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone
CID 25197901

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).