6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione

C14H10Br2N2S — CID 107636770

IUPAC6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1c(Br)cccc1-n1c(=S)[nH]c2cc(Br)ccc21
InChIInChI=1S/C14H10Br2N2S/c1-8-10(16)3-2-4-12(8)18-13-6-5-9(15)7-11(13)17-14(18)19/h2-7H,1H3,(H,17,19)
InChIKeyPWVXLPPCWCOWFG-UHFFFAOYSA-N
MW398.12 g/mol
LogP5.52
Rot. Bonds1

About 6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione

6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione (PubChem CID 107636770) has the molecular formula C14H10Br2N2S and a molecular weight of 398.12 g/mol. Its IUPAC name is 6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione
PubChem CID107636770
Molecular FormulaC14H10Br2N2S
Molecular Weight398.12 g/mol
Exact Mass395.89
IUPAC Name6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1c(Br)cccc1-n1c(=S)[nH]c2cc(Br)ccc21
InChIInChI=1S/C14H10Br2N2S/c1-8-10(16)3-2-4-12(8)18-13-6-5-9(15)7-11(13)17-14(18)19/h2-7H,1H3,(H,17,19)
InChIKeyPWVXLPPCWCOWFG-UHFFFAOYSA-N
XLogP5.52
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.12
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-bromo-2-methylphenyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 107636769
6-bromo-3-(2-chlorophenyl)-1H-benzimidazole-2-thione
CID 43660780
6-bromo-3-[2-(dimethylamino)phenyl]-1H-benzimidazole-2-thione
CID 106760210
6-bromo-3-(2,4-dibromo-5-methoxyphenyl)-1H-benzimidazole-2-thione
CID 103415519
6-bromo-3-(2-bromo-6-fluorophenyl)-1H-benzimidazole-2-thione
CID 107601282
6-bromo-3-(2-propylphenyl)-1H-benzimidazole-2-thione
CID 63547463
6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 43660688
6-bromo-3-(2,5-dichloro-4-methylphenyl)-1H-benzimidazole-2-thione
CID 104727500
6-bromo-3-(2,6-difluorophenyl)-1H-benzimidazole-2-thione
CID 43660637
6-bromo-3-(4-bromophenyl)-1H-benzimidazole-2-thione
CID 43660812
6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 55221176
3-(5-bromo-2-chlorophenyl)-6-methyl-1H-benzimidazole-2-thione
CID 63547662

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione (CID 107636770) is 6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione is Cc1c(Br)cccc1-n1c(=S)[nH]c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione?
The InChIKey is PWVXLPPCWCOWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2S/c1-8-10(16)3-2-4-12(8)18-13-6-5-9(15)7-11(13)17-14(18)19/h2-7H,1H3,(H,17,19).
What are the key properties of 6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione?
6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione has a molecular weight of 398.12 g/mol, XLogP of 5.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 107636770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).