6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine

C14H10BrF2N3O — CID 71295658

IUPAC6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine
SMILESCOc1cc(Br)cc2c1nc(N)n2-c1cc(F)cc(F)c1
InChIInChI=1S/C14H10BrF2N3O/c1-21-12-3-7(15)2-11-13(12)19-14(18)20(11)10-5-8(16)4-9(17)6-10/h2-6H,1H3,(H2,18,19)
InChIKeyNWGOJQIPADISOK-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.66
Rot. Bonds2

About 6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine

6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine (PubChem CID 71295658) has the molecular formula C14H10BrF2N3O and a molecular weight of 354.15 g/mol. Its IUPAC name is 6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine
PubChem CID71295658
Molecular FormulaC14H10BrF2N3O
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine
SMILESCOc1cc(Br)cc2c1nc(N)n2-c1cc(F)cc(F)c1
InChIInChI=1S/C14H10BrF2N3O/c1-21-12-3-7(15)2-11-13(12)19-14(18)20(11)10-5-8(16)4-9(17)6-10/h2-6H,1H3,(H2,18,19)
InChIKeyNWGOJQIPADISOK-UHFFFAOYSA-N
XLogP3.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine (CID 71295658) is 6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine is COc1cc(Br)cc2c1nc(N)n2-c1cc(F)cc(F)c1.
What is the InChIKey of 6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine?
The InChIKey is NWGOJQIPADISOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3O/c1-21-12-3-7(15)2-11-13(12)19-14(18)20(11)10-5-8(16)4-9(17)6-10/h2-6H,1H3,(H2,18,19).
What are the key properties of 6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine?
6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine has a molecular weight of 354.15 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3,5-difluorophenyl)-4-methoxybenzimidazol-2-amine is sourced from PubChem (CID 71295658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).