4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one

C15H18N2O — CID 82497246

IUPAC4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
SMILESCC(=O)CCc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C15H18N2O/c1-10(18)3-4-11-5-8-14-13(9-11)16-15(17(14)2)12-6-7-12/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyINVVJCCAUOLJMP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.97
Rot. Bonds4

About 4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one

4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one (PubChem CID 82497246) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
PubChem CID82497246
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
SMILESCC(=O)CCc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C15H18N2O/c1-10(18)3-4-11-5-8-14-13(9-11)16-15(17(14)2)12-6-7-12/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyINVVJCCAUOLJMP-UHFFFAOYSA-N
XLogP2.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one?
The IUPAC name of 4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one (CID 82497246) is 4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one.
What is the SMILES notation for 4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one?
The canonical SMILES for 4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one is CC(=O)CCc1ccc2c(c1)nc(C1CC1)n2C.
What is the InChIKey of 4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one?
The InChIKey is INVVJCCAUOLJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(18)3-4-11-5-8-14-13(9-11)16-15(17(14)2)12-6-7-12/h5,8-9,12H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one?
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one is sourced from PubChem (CID 82497246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).