4-bromo-1-methylbenzimidazole

C8H7BrN2 — CID 67993271

IUPAC4-bromo-1-methylbenzimidazole
SMILESCn1cnc2c(Br)cccc21
InChIInChI=1S/C8H7BrN2/c1-11-5-10-8-6(9)3-2-4-7(8)11/h2-5H,1H3
InChIKeyRQJWIWNNDYLKNI-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.34
Rot. Bonds

About 4-bromo-1-methylbenzimidazole

4-bromo-1-methylbenzimidazole (PubChem CID 67993271) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 4-bromo-1-methylbenzimidazole.

Molecular Properties

Compound Name4-bromo-1-methylbenzimidazole
PubChem CID67993271
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name4-bromo-1-methylbenzimidazole
SMILESCn1cnc2c(Br)cccc21
InChIInChI=1S/C8H7BrN2/c1-11-5-10-8-6(9)3-2-4-7(8)11/h2-5H,1H3
InChIKeyRQJWIWNNDYLKNI-UHFFFAOYSA-N
XLogP2.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylbenzimidazole?
The IUPAC name of 4-bromo-1-methylbenzimidazole (CID 67993271) is 4-bromo-1-methylbenzimidazole.
What is the SMILES notation for 4-bromo-1-methylbenzimidazole?
The canonical SMILES for 4-bromo-1-methylbenzimidazole is Cn1cnc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-methylbenzimidazole?
The InChIKey is RQJWIWNNDYLKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-11-5-10-8-6(9)3-2-4-7(8)11/h2-5H,1H3.
What are the key properties of 4-bromo-1-methylbenzimidazole?
4-bromo-1-methylbenzimidazole has a molecular weight of 211.06 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylbenzimidazole is sourced from PubChem (CID 67993271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).