1-chloro-4-methylbenzimidazole

C8H7ClN2 — CID 68637530

IUPAC1-chloro-4-methylbenzimidazole
SMILESCc1cccc2c1ncn2Cl
InChIInChI=1S/C8H7ClN2/c1-6-3-2-4-7-8(6)10-5-11(7)9/h2-5H,1H3
InChIKeyIIMJEXUTPSNOCE-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.35
Rot. Bonds

About 1-chloro-4-methylbenzimidazole

1-chloro-4-methylbenzimidazole (PubChem CID 68637530) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 1-chloro-4-methylbenzimidazole.

Molecular Properties

Compound Name1-chloro-4-methylbenzimidazole
PubChem CID68637530
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name1-chloro-4-methylbenzimidazole
SMILESCc1cccc2c1ncn2Cl
InChIInChI=1S/C8H7ClN2/c1-6-3-2-4-7-8(6)10-5-11(7)9/h2-5H,1H3
InChIKeyIIMJEXUTPSNOCE-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzimidazole?
The IUPAC name of 1-chloro-4-methylbenzimidazole (CID 68637530) is 1-chloro-4-methylbenzimidazole.
What is the SMILES notation for 1-chloro-4-methylbenzimidazole?
The canonical SMILES for 1-chloro-4-methylbenzimidazole is Cc1cccc2c1ncn2Cl.
What is the InChIKey of 1-chloro-4-methylbenzimidazole?
The InChIKey is IIMJEXUTPSNOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-6-3-2-4-7-8(6)10-5-11(7)9/h2-5H,1H3.
What are the key properties of 1-chloro-4-methylbenzimidazole?
1-chloro-4-methylbenzimidazole has a molecular weight of 166.61 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylbenzimidazole is sourced from PubChem (CID 68637530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).