1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine

C14H10BrCl2N3 — CID 104724612

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine
SMILESCc1cc(Br)c(-n2c(N)nc3cc(Cl)ccc32)cc1Cl
InChIInChI=1S/C14H10BrCl2N3/c1-7-4-9(15)13(6-10(7)17)20-12-3-2-8(16)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyKYMGGHWUACMIDH-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.99
Rot. Bonds1

About 1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine

1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine (PubChem CID 104724612) has the molecular formula C14H10BrCl2N3 and a molecular weight of 371.07 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine
PubChem CID104724612
Molecular FormulaC14H10BrCl2N3
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine
SMILESCc1cc(Br)c(-n2c(N)nc3cc(Cl)ccc32)cc1Cl
InChIInChI=1S/C14H10BrCl2N3/c1-7-4-9(15)13(6-10(7)17)20-12-3-2-8(16)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyKYMGGHWUACMIDH-UHFFFAOYSA-N
XLogP4.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 82766158
5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine
CID 104727540
5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine
CID 103415731
1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474
5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine
CID 43661666
5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine
CID 43659506
5-chloro-1-(2,6-dibromophenyl)benzimidazol-2-amine
CID 107601326
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570
1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine
CID 43661916
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
CID 115552616
6-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine
CID 104727537

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine (CID 104724612) is 1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine is Cc1cc(Br)c(-n2c(N)nc3cc(Cl)ccc32)cc1Cl.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine?
The InChIKey is KYMGGHWUACMIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2N3/c1-7-4-9(15)13(6-10(7)17)20-12-3-2-8(16)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine?
1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine has a molecular weight of 371.07 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine is sourced from PubChem (CID 104724612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).