5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium

C15H14N2O — CID 617265

IUPAC5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium
SMILESCc1ccc(-n2c[n+]([O-])c3cc(C)ccc32)cc1
InChIInChI=1S/C15H14N2O/c1-11-3-6-13(7-4-11)16-10-17(18)15-9-12(2)5-8-14(15)16/h3-10H,1-2H3
InChIKeyDPSSKRBXQRSQNL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.88
Rot. Bonds1

About 5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium

5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium (PubChem CID 617265) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium
PubChem CID617265
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium
SMILESCc1ccc(-n2c[n+]([O-])c3cc(C)ccc32)cc1
InChIInChI=1S/C15H14N2O/c1-11-3-6-13(7-4-11)16-10-17(18)15-9-12(2)5-8-14(15)16/h3-10H,1-2H3
InChIKeyDPSSKRBXQRSQNL-UHFFFAOYSA-N
XLogP2.88
TPSA31.87 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium 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

1,3,5-trimethylbenzimidazol-1-ium
CID 125479666
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
1-phenyl-3-[(2,4,6-trimethylphenyl)methyl]benzimidazol-3-ium chloride
CID 139240229
5-isocyano-1-methyl-3-(3-methylphenyl)benzimidazol-1-ium
CID 153430471
3,9-dimethyl-6-phenylcarbazole
CID 59499447
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
4,7-dimethyl-1H-quinoxaline-2,3-dione
CID 18788081
1-(4-fluorophenyl)-3-methylbenzimidazol-3-ium
CID 132571997
5-methyl-1-(4-prop-1-en-2-ylphenyl)indole
CID 143656373
1,3-dimethyl-2-(3-methylphenyl)benzimidazol-3-ium
CID 102032328

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium?
The IUPAC name of 5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium (CID 617265) is 5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium is Cc1ccc(-n2c[n+]([O-])c3cc(C)ccc32)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium?
The InChIKey is DPSSKRBXQRSQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-3-6-13(7-4-11)16-10-17(18)15-9-12(2)5-8-14(15)16/h3-10H,1-2H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium?
5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium has a molecular weight of 238.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)-3-oxidobenzimidazol-3-ium is sourced from PubChem (CID 617265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).