1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one

C10H12N2O — CID 143143975

IUPAC1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one
SMILESCC(=O)Cn1cnc2c1CCC=C2
InChIInChI=1S/C10H12N2O/c1-8(13)6-12-7-11-9-4-2-3-5-10(9)12/h2,4,7H,3,5-6H2,1H3
InChIKeyDBOMBUOCZOTTCU-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.43
Rot. Bonds2

About 1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one

1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one (PubChem CID 143143975) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one
PubChem CID143143975
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one
SMILESCC(=O)Cn1cnc2c1CCC=C2
InChIInChI=1S/C10H12N2O/c1-8(13)6-12-7-11-9-4-2-3-5-10(9)12/h2,4,7H,3,5-6H2,1H3
InChIKeyDBOMBUOCZOTTCU-UHFFFAOYSA-N
XLogP1.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one?
The IUPAC name of 1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one (CID 143143975) is 1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one.
What is the SMILES notation for 1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one?
The canonical SMILES for 1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one is CC(=O)Cn1cnc2c1CCC=C2.
What is the InChIKey of 1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one?
The InChIKey is DBOMBUOCZOTTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8(13)6-12-7-11-9-4-2-3-5-10(9)12/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one?
1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydrobenzimidazol-1-yl)propan-2-one is sourced from PubChem (CID 143143975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).