6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine

C14H11BrClN3O — CID 65346975

IUPAC6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1ccc(-n2c(N)nc3ccc(Br)cc32)cc1Cl
InChIInChI=1S/C14H11BrClN3O/c1-20-13-5-3-9(7-10(13)16)19-12-6-8(15)2-4-11(12)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyIBLYMBJIVQFIEF-UHFFFAOYSA-N
MW352.62 g/mol
LogP4.03
Rot. Bonds2

About 6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine

6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine (PubChem CID 65346975) has the molecular formula C14H11BrClN3O and a molecular weight of 352.62 g/mol. Its IUPAC name is 6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
PubChem CID65346975
Molecular FormulaC14H11BrClN3O
Molecular Weight352.62 g/mol
Exact Mass350.98
IUPAC Name6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1ccc(-n2c(N)nc3ccc(Br)cc32)cc1Cl
InChIInChI=1S/C14H11BrClN3O/c1-20-13-5-3-9(7-10(13)16)19-12-6-8(15)2-4-11(12)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyIBLYMBJIVQFIEF-UHFFFAOYSA-N
XLogP4.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 54.03
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-chloro-4-methoxyphenyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine (CID 65346975) is 6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine is COc1ccc(-n2c(N)nc3ccc(Br)cc32)cc1Cl.
What is the InChIKey of 6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine?
The InChIKey is IBLYMBJIVQFIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O/c1-20-13-5-3-9(7-10(13)16)19-12-6-8(15)2-4-11(12)18-14(19)17/h2-7H,1H3,(H2,17,18).
What are the key properties of 6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine?
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine has a molecular weight of 352.62 g/mol, XLogP of 4.03, 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-chloro-4-methoxyphenyl)benzimidazol-2-amine is sourced from PubChem (CID 65346975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).