1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine

C14H11BrFN3 — CID 115552268

IUPAC1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(-c3ccc(Br)cc3F)c12
InChIInChI=1S/C14H11BrFN3/c1-8-3-2-4-11-13(8)19(14(17)18-11)12-6-5-9(15)7-10(12)16/h2-7H,1H3,(H2,17,18)
InChIKeyDYVSLNNEBGKULM-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.82
Rot. Bonds1

About 1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine

1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine (PubChem CID 115552268) has the molecular formula C14H11BrFN3 and a molecular weight of 320.17 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine
PubChem CID115552268
Molecular FormulaC14H11BrFN3
Molecular Weight320.17 g/mol
Exact Mass319.01
IUPAC Name1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(-c3ccc(Br)cc3F)c12
InChIInChI=1S/C14H11BrFN3/c1-8-3-2-4-11-13(8)19(14(17)18-11)12-6-5-9(15)7-10(12)16/h2-7H,1H3,(H2,17,18)
InChIKeyDYVSLNNEBGKULM-UHFFFAOYSA-N
XLogP3.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552264
1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
CID 115552616
1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552389
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 115552270
1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine
CID 115552506
1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598230
7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 115552254
7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43662097
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
CID 43661750
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine (CID 115552268) is 1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine is Cc1cccc2nc(N)n(-c3ccc(Br)cc3F)c12.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine?
The InChIKey is DYVSLNNEBGKULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3/c1-8-3-2-4-11-13(8)19(14(17)18-11)12-6-5-9(15)7-10(12)16/h2-7H,1H3,(H2,17,18).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine?
1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine has a molecular weight of 320.17 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).