5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine

C14H10Br2ClN3O — CID 103415731

IUPAC5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3cc(Cl)ccc32)c(Br)cc1Br
InChIInChI=1S/C14H10Br2ClN3O/c1-21-13-6-12(8(15)5-9(13)16)20-11-3-2-7(17)4-10(11)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyAXDANXXBAKBGGY-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.79
Rot. Bonds2

About 5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine

5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine (PubChem CID 103415731) has the molecular formula C14H10Br2ClN3O and a molecular weight of 431.52 g/mol. Its IUPAC name is 5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine
PubChem CID103415731
Molecular FormulaC14H10Br2ClN3O
Molecular Weight431.52 g/mol
Exact Mass428.89
IUPAC Name5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3cc(Cl)ccc32)c(Br)cc1Br
InChIInChI=1S/C14H10Br2ClN3O/c1-21-13-6-12(8(15)5-9(13)16)20-11-3-2-7(17)4-10(11)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyAXDANXXBAKBGGY-UHFFFAOYSA-N
XLogP4.79
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(2-methoxyphenyl)benzimidazol-2-amine
CID 43659394
1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 104724612
6-chloro-3-(2,4-dibromo-5-methoxyphenyl)imidazo[4,5-b]pyridin-2-amine
CID 103415767
1-(2-bromo-5-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 82766158
1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474
4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile
CID 104849631
5-chloro-1-(2,6-dibromophenyl)benzimidazol-2-amine
CID 107601326
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570
5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine
CID 43661666
1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598050
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine
CID 115470423

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine (CID 103415731) is 5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine is COc1cc(-n2c(N)nc3cc(Cl)ccc32)c(Br)cc1Br.
What is the InChIKey of 5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine?
The InChIKey is AXDANXXBAKBGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClN3O/c1-21-13-6-12(8(15)5-9(13)16)20-11-3-2-7(17)4-10(11)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine?
5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine has a molecular weight of 431.52 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine is sourced from PubChem (CID 103415731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).