1-methyl-2-(2-phenylethynyl)benzimidazole

C16H12N2 — CID 11207013

IUPAC1-methyl-2-(2-phenylethynyl)benzimidazole
SMILESCn1c(C#Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C16H12N2/c1-18-15-10-6-5-9-14(15)17-16(18)12-11-13-7-3-2-4-8-13/h2-10H,1H3
InChIKeyINNWLJQSPDCDFQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.97
Rot. Bonds

About 1-methyl-2-(2-phenylethynyl)benzimidazole

1-methyl-2-(2-phenylethynyl)benzimidazole (PubChem CID 11207013) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-methyl-2-(2-phenylethynyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(2-phenylethynyl)benzimidazole
PubChem CID11207013
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name1-methyl-2-(2-phenylethynyl)benzimidazole
SMILESCn1c(C#Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C16H12N2/c1-18-15-10-6-5-9-14(15)17-16(18)12-11-13-7-3-2-4-8-13/h2-10H,1H3
InChIKeyINNWLJQSPDCDFQ-UHFFFAOYSA-N
XLogP2.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethynyl-2-(2-phenylethynyl)benzimidazole
CID 101224119
2-[2-[4-(2-methylpropyl)phenyl]ethynyl]-1-propylbenzimidazole
CID 91317222
2-(disulfanyl)-1-methylbenzimidazole
CID 123710496
CID 140577195
CID 140577195
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole
CID 122363283
3-(dimethylamino)-1-methylquinoxalin-2-one
CID 1471092
sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939
sodium 1-methylbenzimidazole-2-sulfonate
CID 16637177
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
1-butyl-2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazole;1-(3-methylbutyl)-2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazole;2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole;2-[(E)-2-(4-methylphenyl)ethenyl]-1-propan-2-ylbenzimidazole;1-methyl-2-(2-phenylethynyl)benzimidazole;2-[(E)-2-phenylethenyl]-1-prop-2-enylbenzimidazole
CID 157188100

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-phenylethynyl)benzimidazole?
The IUPAC name of 1-methyl-2-(2-phenylethynyl)benzimidazole (CID 11207013) is 1-methyl-2-(2-phenylethynyl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(2-phenylethynyl)benzimidazole?
The canonical SMILES for 1-methyl-2-(2-phenylethynyl)benzimidazole is Cn1c(C#Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-(2-phenylethynyl)benzimidazole?
The InChIKey is INNWLJQSPDCDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-18-15-10-6-5-9-14(15)17-16(18)12-11-13-7-3-2-4-8-13/h2-10H,1H3.
What are the key properties of 1-methyl-2-(2-phenylethynyl)benzimidazole?
1-methyl-2-(2-phenylethynyl)benzimidazole has a molecular weight of 232.29 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-phenylethynyl)benzimidazole is sourced from PubChem (CID 11207013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).