6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen

C16H18N4S2 — CID 144612475

IUPAC6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
SMILESCc1ccc2nc(SSc3nc4ccc(C)cc4[nH]3)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C16H14N4S2.2H2/c1-9-3-5-11-13(7-9)19-15(17-11)21-22-16-18-12-6-4-10(2)8-14(12)20-16;;/h3-8H,1-2H3,(H,17,19)(H,18,20);2*1H
InChIKeyBGXLXZVIPPEVCB-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.35
Rot. Bonds3

About 6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen

6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen (PubChem CID 144612475) has the molecular formula C16H18N4S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen.

Molecular Properties

Compound Name6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
PubChem CID144612475
Molecular FormulaC16H18N4S2
Molecular Weight330.48 g/mol
Exact Mass330.10
IUPAC Name6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
SMILESCc1ccc2nc(SSc3nc4ccc(C)cc4[nH]3)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C16H14N4S2.2H2/c1-9-3-5-11-13(7-9)19-15(17-11)21-22-16-18-12-6-4-10(2)8-14(12)20-16;;/h3-8H,1-2H3,(H,17,19)(H,18,20);2*1H
InChIKeyBGXLXZVIPPEVCB-UHFFFAOYSA-N
XLogP5.35
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen 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

2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
CID 62875439
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 62873903
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole
CID 923736
2-bromo-6-methyl-1H-benzimidazole
CID 18967090
2-(2-azidoethylsulfanyl)-6-methyl-1H-benzimidazole
CID 62874259
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 107930978
2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892676
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzoic acid
CID 62875595

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen?
The IUPAC name of 6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen (CID 144612475) is 6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen.
What is the SMILES notation for 6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen?
The canonical SMILES for 6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen is Cc1ccc2nc(SSc3nc4ccc(C)cc4[nH]3)[nH]c2c1.[H][H].[H][H].
What is the InChIKey of 6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen?
The InChIKey is BGXLXZVIPPEVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S2.2H2/c1-9-3-5-11-13(7-9)19-15(17-11)21-22-16-18-12-6-4-10(2)8-14(12)20-16;;/h3-8H,1-2H3,(H,17,19)(H,18,20);2*1H.
What are the key properties of 6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen?
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen has a molecular weight of 330.48 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen is sourced from PubChem (CID 144612475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).