2,7-dichloro-1-methylbenzimidazole

C8H6Cl2N2 — CID 83831804

IUPAC2,7-dichloro-1-methylbenzimidazole
SMILESCn1c(Cl)nc2cccc(Cl)c21
InChIInChI=1S/C8H6Cl2N2/c1-12-7-5(9)3-2-4-6(7)11-8(12)10/h2-4H,1H3
InChIKeyBZFBMRJXGAQGDO-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.88
Rot. Bonds

About 2,7-dichloro-1-methylbenzimidazole

2,7-dichloro-1-methylbenzimidazole (PubChem CID 83831804) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 2,7-dichloro-1-methylbenzimidazole.

Molecular Properties

Compound Name2,7-dichloro-1-methylbenzimidazole
PubChem CID83831804
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name2,7-dichloro-1-methylbenzimidazole
SMILESCn1c(Cl)nc2cccc(Cl)c21
InChIInChI=1S/C8H6Cl2N2/c1-12-7-5(9)3-2-4-6(7)11-8(12)10/h2-4H,1H3
InChIKeyBZFBMRJXGAQGDO-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Benzimidazol-2-amine, 6-chloro-
CID 21527
Chlormidazole
CID 71821
5-Chloro-2-methylbenzimidazole
CID 76063
5-chloro-1H-benzimidazole
CID 78599
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
2-Amino-1-methylbenzimidazole
CID 74187
5,6-dichloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 612073
5,6-Dichloro-1,2-dimethylbenzimidazole
CID 840715
1-ethyl-1H-1,3-benzodiazole
CID 485094
5-chloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 113622
6-chloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 10419809
1,2-Dimethylbenzimidazole
CID 312693

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-1-methylbenzimidazole?
The IUPAC name of 2,7-dichloro-1-methylbenzimidazole (CID 83831804) is 2,7-dichloro-1-methylbenzimidazole.
What is the SMILES notation for 2,7-dichloro-1-methylbenzimidazole?
The canonical SMILES for 2,7-dichloro-1-methylbenzimidazole is Cn1c(Cl)nc2cccc(Cl)c21.
What is the InChIKey of 2,7-dichloro-1-methylbenzimidazole?
The InChIKey is BZFBMRJXGAQGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c1-12-7-5(9)3-2-4-6(7)11-8(12)10/h2-4H,1H3.
What are the key properties of 2,7-dichloro-1-methylbenzimidazole?
2,7-dichloro-1-methylbenzimidazole has a molecular weight of 201.06 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-1-methylbenzimidazole is sourced from PubChem (CID 83831804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).