2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole

C14H10BrFN2 — CID 64724742

IUPAC2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
SMILESCc1cc(Br)ccc1-c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H10BrFN2/c1-8-6-9(15)2-4-11(8)14-17-12-5-3-10(16)7-13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyKCKJKLJDOJOQKN-UHFFFAOYSA-N
MW305.15 g/mol
LogP4.44
Rot. Bonds1

About 2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole

2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole (PubChem CID 64724742) has the molecular formula C14H10BrFN2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
PubChem CID64724742
Molecular FormulaC14H10BrFN2
Molecular Weight305.15 g/mol
Exact Mass304.00
IUPAC Name2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
SMILESCc1cc(Br)ccc1-c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H10BrFN2/c1-8-6-9(15)2-4-11(8)14-17-12-5-3-10(16)7-13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyKCKJKLJDOJOQKN-UHFFFAOYSA-N
XLogP4.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine
CID 43629943
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 63399315
[2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004404
2-(4-fluoro-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 112688356
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
CID 81432484
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 114020270
2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline
CID 62866966
2-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185573
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
CID 164892527

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole (CID 64724742) is 2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole is Cc1cc(Br)ccc1-c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is KCKJKLJDOJOQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2/c1-8-6-9(15)2-4-11(8)14-17-12-5-3-10(16)7-13(12)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole?
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 305.15 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 64724742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).