5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine

C14H10BrCl2N3 — CID 104727540

IUPAC5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine
SMILESCc1cc(Cl)c(-n2c(N)nc3cc(Br)ccc32)cc1Cl
InChIInChI=1S/C14H10BrCl2N3/c1-7-4-10(17)13(6-9(7)16)20-12-3-2-8(15)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyAHSQWWUCPBLUOH-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.99
Rot. Bonds1

About 5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine

5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine (PubChem CID 104727540) has the molecular formula C14H10BrCl2N3 and a molecular weight of 371.07 g/mol. Its IUPAC name is 5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine
PubChem CID104727540
Molecular FormulaC14H10BrCl2N3
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine
SMILESCc1cc(Cl)c(-n2c(N)nc3cc(Br)ccc32)cc1Cl
InChIInChI=1S/C14H10BrCl2N3/c1-7-4-10(17)13(6-9(7)16)20-12-3-2-8(15)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyAHSQWWUCPBLUOH-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

6-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine
CID 104727537
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042
5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine
CID 43661666
1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 104724612
5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
CID 63546046
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 43661850
1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine
CID 43661916
5-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854236
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 115552270
3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 104727548

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine (CID 104727540) is 5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine is Cc1cc(Cl)c(-n2c(N)nc3cc(Br)ccc32)cc1Cl.
What is the InChIKey of 5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine?
The InChIKey is AHSQWWUCPBLUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2N3/c1-7-4-10(17)13(6-9(7)16)20-12-3-2-8(15)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine?
5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-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 5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 104727540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).