1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one

C15H12N2O2 — CID 15423123

IUPAC1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one
SMILESCOc1ccc(-n2c3cccccc-3nc2=O)cc1
InChIInChI=1S/C15H12N2O2/c1-19-12-9-7-11(8-10-12)17-14-6-4-2-3-5-13(14)16-15(17)18/h2-10H,1H3
InChIKeyXAGVCNAENWCONY-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.35
Rot. Bonds2

About 1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one

1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one (PubChem CID 15423123) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one
PubChem CID15423123
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one
SMILESCOc1ccc(-n2c3cccccc-3nc2=O)cc1
InChIInChI=1S/C15H12N2O2/c1-19-12-9-7-11(8-10-12)17-14-6-4-2-3-5-13(14)16-15(17)18/h2-10H,1H3
InChIKeyXAGVCNAENWCONY-UHFFFAOYSA-N
XLogP2.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one?
The IUPAC name of 1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one (CID 15423123) is 1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one is COc1ccc(-n2c3cccccc-3nc2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one?
The InChIKey is XAGVCNAENWCONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-12-9-7-11(8-10-12)17-14-6-4-2-3-5-13(14)16-15(17)18/h2-10H,1H3.
What are the key properties of 1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one?
1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one has a molecular weight of 252.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one is sourced from PubChem (CID 15423123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).