1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine

C14H10BrCl2N3 — CID 107575938

IUPAC1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
SMILESCc1cc(Br)cc(-n2c(N)nc3cc(Cl)c(Cl)cc32)c1
InChIInChI=1S/C14H10BrCl2N3/c1-7-2-8(15)4-9(3-7)20-13-6-11(17)10(16)5-12(13)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyLPBOHNMTBGXUSX-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.99
Rot. Bonds1

About 1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine

1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine (PubChem CID 107575938) has the molecular formula C14H10BrCl2N3 and a molecular weight of 371.07 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
PubChem CID107575938
Molecular FormulaC14H10BrCl2N3
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
SMILESCc1cc(Br)cc(-n2c(N)nc3cc(Cl)c(Cl)cc32)c1
InChIInChI=1S/C14H10BrCl2N3/c1-7-2-8(15)4-9(3-7)20-13-6-11(17)10(16)5-12(13)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyLPBOHNMTBGXUSX-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-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 107575904
5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine
CID 66076552
1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 82766702
1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592692
5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
CID 43659458
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107791625
1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107575936
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077330
5-chloro-6-fluoro-1-(3,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66078904

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine (CID 107575938) is 1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine is Cc1cc(Br)cc(-n2c(N)nc3cc(Cl)c(Cl)cc32)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine?
The InChIKey is LPBOHNMTBGXUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2N3/c1-7-2-8(15)4-9(3-7)20-13-6-11(17)10(16)5-12(13)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine?
1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-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-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine is sourced from PubChem (CID 107575938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).