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

C14H10BrCl2N3 — CID 82766702

IUPAC1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
SMILESCc1ccc(Br)c(-n2c(N)nc3cc(Cl)c(Cl)cc32)c1
InChIInChI=1S/C14H10BrCl2N3/c1-7-2-3-8(15)12(4-7)20-13-6-10(17)9(16)5-11(13)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyVEECPRIKSHELSP-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.99
Rot. Bonds1

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

1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine (PubChem CID 82766702) has the molecular formula C14H10BrCl2N3 and a molecular weight of 371.07 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
PubChem CID82766702
Molecular FormulaC14H10BrCl2N3
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
SMILESCc1ccc(Br)c(-n2c(N)nc3cc(Cl)c(Cl)cc32)c1
InChIInChI=1S/C14H10BrCl2N3/c1-7-2-3-8(15)12(4-7)20-13-6-10(17)9(16)5-11(13)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyVEECPRIKSHELSP-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

Analyze 1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine (CID 82766702) is 1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine is Cc1ccc(Br)c(-n2c(N)nc3cc(Cl)c(Cl)cc32)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine?
The InChIKey is VEECPRIKSHELSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2N3/c1-7-2-3-8(15)12(4-7)20-13-6-10(17)9(16)5-11(13)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine?
1-(2-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-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine is sourced from PubChem (CID 82766702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).