1-cyclopropyl-5-ethynyl-2-methylbenzimidazole

C13H12N2 — CID 162380804

IUPAC1-cyclopropyl-5-ethynyl-2-methylbenzimidazole
SMILESC#Cc1ccc2c(c1)nc(C)n2C1CC1
InChIInChI=1S/C13H12N2/c1-3-10-4-7-13-12(8-10)14-9(2)15(13)11-5-6-11/h1,4,7-8,11H,5-6H2,2H3
InChIKeyPYHWCFBULRKVNT-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.66
Rot. Bonds1

About 1-cyclopropyl-5-ethynyl-2-methylbenzimidazole

1-cyclopropyl-5-ethynyl-2-methylbenzimidazole (PubChem CID 162380804) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-cyclopropyl-5-ethynyl-2-methylbenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-5-ethynyl-2-methylbenzimidazole
PubChem CID162380804
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1-cyclopropyl-5-ethynyl-2-methylbenzimidazole
SMILESC#Cc1ccc2c(c1)nc(C)n2C1CC1
InChIInChI=1S/C13H12N2/c1-3-10-4-7-13-12(8-10)14-9(2)15(13)11-5-6-11/h1,4,7-8,11H,5-6H2,2H3
InChIKeyPYHWCFBULRKVNT-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.66
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-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile
CID 82492655
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
CID 82492875
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
CID 82495003
1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
CID 62506898
2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-2-methylpropan-1-ol
CID 117362935
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)cyclobutan-1-amine
CID 117355811
1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole
CID 82497189
2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 43322927
1-cyclopropyl-5-(1-isocyanatocyclopentyl)-2-methylbenzimidazole
CID 117451607
3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid
CID 82500033

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-ethynyl-2-methylbenzimidazole?
The IUPAC name of 1-cyclopropyl-5-ethynyl-2-methylbenzimidazole (CID 162380804) is 1-cyclopropyl-5-ethynyl-2-methylbenzimidazole.
What is the SMILES notation for 1-cyclopropyl-5-ethynyl-2-methylbenzimidazole?
The canonical SMILES for 1-cyclopropyl-5-ethynyl-2-methylbenzimidazole is C#Cc1ccc2c(c1)nc(C)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-5-ethynyl-2-methylbenzimidazole?
The InChIKey is PYHWCFBULRKVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-3-10-4-7-13-12(8-10)14-9(2)15(13)11-5-6-11/h1,4,7-8,11H,5-6H2,2H3.
What are the key properties of 1-cyclopropyl-5-ethynyl-2-methylbenzimidazole?
1-cyclopropyl-5-ethynyl-2-methylbenzimidazole has a molecular weight of 196.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-ethynyl-2-methylbenzimidazole is sourced from PubChem (CID 162380804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).