1-methyl-3-phenacylbenzimidazol-2-one

C16H14N2O2 — CID 60708815

IUPAC1-methyl-3-phenacylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-17-13-9-5-6-10-14(13)18(16(17)20)11-15(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyGOIMWIZOJKYPNW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.22
Rot. Bonds3

About 1-methyl-3-phenacylbenzimidazol-2-one

1-methyl-3-phenacylbenzimidazol-2-one (PubChem CID 60708815) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-methyl-3-phenacylbenzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-phenacylbenzimidazol-2-one
PubChem CID60708815
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-methyl-3-phenacylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-17-13-9-5-6-10-14(13)18(16(17)20)11-15(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyGOIMWIZOJKYPNW-UHFFFAOYSA-N
XLogP2.22
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenacylbenzimidazol-2-one?
The IUPAC name of 1-methyl-3-phenacylbenzimidazol-2-one (CID 60708815) is 1-methyl-3-phenacylbenzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-phenacylbenzimidazol-2-one?
The canonical SMILES for 1-methyl-3-phenacylbenzimidazol-2-one is Cn1c(=O)n(CC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-phenacylbenzimidazol-2-one?
The InChIKey is GOIMWIZOJKYPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-17-13-9-5-6-10-14(13)18(16(17)20)11-15(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 1-methyl-3-phenacylbenzimidazol-2-one?
1-methyl-3-phenacylbenzimidazol-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenacylbenzimidazol-2-one is sourced from PubChem (CID 60708815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).