4-(benzimidazol-1-yl)butan-2-one

C11H12N2O — CID 13267877

IUPAC4-(benzimidazol-1-yl)butan-2-one
SMILESCC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C11H12N2O/c1-9(14)6-7-13-8-12-10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3
InChIKeyZPAIGQDQDVCVIP-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.02
Rot. Bonds3

About 4-(benzimidazol-1-yl)butan-2-one

4-(benzimidazol-1-yl)butan-2-one (PubChem CID 13267877) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)butan-2-one
PubChem CID13267877
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-(benzimidazol-1-yl)butan-2-one
SMILESCC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C11H12N2O/c1-9(14)6-7-13-8-12-10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3
InChIKeyZPAIGQDQDVCVIP-UHFFFAOYSA-N
XLogP2.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)butan-2-one?
The IUPAC name of 4-(benzimidazol-1-yl)butan-2-one (CID 13267877) is 4-(benzimidazol-1-yl)butan-2-one.
What is the SMILES notation for 4-(benzimidazol-1-yl)butan-2-one?
The canonical SMILES for 4-(benzimidazol-1-yl)butan-2-one is CC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 4-(benzimidazol-1-yl)butan-2-one?
The InChIKey is ZPAIGQDQDVCVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9(14)6-7-13-8-12-10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-(benzimidazol-1-yl)butan-2-one?
4-(benzimidazol-1-yl)butan-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)butan-2-one is sourced from PubChem (CID 13267877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).