1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine

C14H10BrF2N3O — CID 82859399

IUPAC1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3ccc(F)c(F)c32)ccc1Br
InChIInChI=1S/C14H10BrF2N3O/c1-21-11-6-7(2-3-8(11)15)20-13-10(19-14(20)18)5-4-9(16)12(13)17/h2-6H,1H3,(H2,18,19)
InChIKeyCQTDLQPQXKLHKV-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.66
Rot. Bonds2

About 1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine

1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine (PubChem CID 82859399) has the molecular formula C14H10BrF2N3O and a molecular weight of 354.15 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine
PubChem CID82859399
Molecular FormulaC14H10BrF2N3O
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3ccc(F)c(F)c32)ccc1Br
InChIInChI=1S/C14H10BrF2N3O/c1-21-11-6-7(2-3-8(11)15)20-13-10(19-14(20)18)5-4-9(16)12(13)17/h2-6H,1H3,(H2,18,19)
InChIKeyCQTDLQPQXKLHKV-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 1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine (CID 82859399) is 1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine is COc1cc(-n2c(N)nc3ccc(F)c(F)c32)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine?
The InChIKey is CQTDLQPQXKLHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3O/c1-21-11-6-7(2-3-8(11)15)20-13-10(19-14(20)18)5-4-9(16)12(13)17/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine?
1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-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 1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine is sourced from PubChem (CID 82859399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).