1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine

C14H10BrClFN3 — CID 66077330

IUPAC1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
SMILESCc1cc(-n2c(N)nc3cc(Cl)c(F)cc32)ccc1Br
InChIInChI=1S/C14H10BrClFN3/c1-7-4-8(2-3-9(7)15)20-13-6-11(17)10(16)5-12(13)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyLERCTTZPNAIMFS-UHFFFAOYSA-N
MW354.61 g/mol
LogP4.47
Rot. Bonds1

About 1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine

1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine (PubChem CID 66077330) has the molecular formula C14H10BrClFN3 and a molecular weight of 354.61 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
PubChem CID66077330
Molecular FormulaC14H10BrClFN3
Molecular Weight354.61 g/mol
Exact Mass352.97
IUPAC Name1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
SMILESCc1cc(-n2c(N)nc3cc(Cl)c(F)cc32)ccc1Br
InChIInChI=1S/C14H10BrClFN3/c1-7-4-8(2-3-9(7)15)20-13-6-11(17)10(16)5-12(13)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyLERCTTZPNAIMFS-UHFFFAOYSA-N
XLogP4.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine (CID 66077330) is 1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine is Cc1cc(-n2c(N)nc3cc(Cl)c(F)cc32)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
The InChIKey is LERCTTZPNAIMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3/c1-7-4-8(2-3-9(7)15)20-13-6-11(17)10(16)5-12(13)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine has a molecular weight of 354.61 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66077330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).