2-bromo-4-methyl-1-phenylbenzimidazole

C14H11BrN2 — CID 84814016

IUPAC2-bromo-4-methyl-1-phenylbenzimidazole
SMILESCc1cccc2c1nc(Br)n2-c1ccccc1
InChIInChI=1S/C14H11BrN2/c1-10-6-5-9-12-13(10)16-14(15)17(12)11-7-3-2-4-8-11/h2-9H,1H3
InChIKeyOJRRLSHHJIIXTA-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.10
Rot. Bonds1

About 2-bromo-4-methyl-1-phenylbenzimidazole

2-bromo-4-methyl-1-phenylbenzimidazole (PubChem CID 84814016) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-bromo-4-methyl-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-bromo-4-methyl-1-phenylbenzimidazole
PubChem CID84814016
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name2-bromo-4-methyl-1-phenylbenzimidazole
SMILESCc1cccc2c1nc(Br)n2-c1ccccc1
InChIInChI=1S/C14H11BrN2/c1-10-6-5-9-12-13(10)16-14(15)17(12)11-7-3-2-4-8-11/h2-9H,1H3
InChIKeyOJRRLSHHJIIXTA-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-1-phenylbenzimidazole?
The IUPAC name of 2-bromo-4-methyl-1-phenylbenzimidazole (CID 84814016) is 2-bromo-4-methyl-1-phenylbenzimidazole.
What is the SMILES notation for 2-bromo-4-methyl-1-phenylbenzimidazole?
The canonical SMILES for 2-bromo-4-methyl-1-phenylbenzimidazole is Cc1cccc2c1nc(Br)n2-c1ccccc1.
What is the InChIKey of 2-bromo-4-methyl-1-phenylbenzimidazole?
The InChIKey is OJRRLSHHJIIXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c1-10-6-5-9-12-13(10)16-14(15)17(12)11-7-3-2-4-8-11/h2-9H,1H3.
What are the key properties of 2-bromo-4-methyl-1-phenylbenzimidazole?
2-bromo-4-methyl-1-phenylbenzimidazole has a molecular weight of 287.16 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-1-phenylbenzimidazole is sourced from PubChem (CID 84814016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).