2-chloro-1-methylbenzimidazole

C8H7ClN2 — CID 663080

IUPAC2-chloro-1-methylbenzimidazole
SMILESCn1c(Cl)nc2ccccc21
InChIInChI=1S/C8H7ClN2/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3
InChIKeyUXZYKSFMGDWHGJ-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.23
Rot. Bonds

About 2-chloro-1-methylbenzimidazole

2-chloro-1-methylbenzimidazole (PubChem CID 663080) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 2-chloro-1-methylbenzimidazole.

Molecular Properties

Compound Name2-chloro-1-methylbenzimidazole
PubChem CID663080
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name2-chloro-1-methylbenzimidazole
SMILESCn1c(Cl)nc2ccccc21
InChIInChI=1S/C8H7ClN2/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3
InChIKeyUXZYKSFMGDWHGJ-UHFFFAOYSA-N
XLogP2.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methylbenzimidazole?
The IUPAC name of 2-chloro-1-methylbenzimidazole (CID 663080) is 2-chloro-1-methylbenzimidazole.
What is the SMILES notation for 2-chloro-1-methylbenzimidazole?
The canonical SMILES for 2-chloro-1-methylbenzimidazole is Cn1c(Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-1-methylbenzimidazole?
The InChIKey is UXZYKSFMGDWHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3.
What are the key properties of 2-chloro-1-methylbenzimidazole?
2-chloro-1-methylbenzimidazole has a molecular weight of 166.61 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methylbenzimidazole is sourced from PubChem (CID 663080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).