1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone

C18H22N2O — CID 54279792

IUPAC1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(C2CCCCCC2)cc1
InChIInChI=1S/C18H22N2O/c21-18(13-20-12-11-19-14-20)17-9-7-16(8-10-17)15-5-3-1-2-4-6-15/h7-12,14-15H,1-6,13H2
InChIKeyRQAAKNPVKMLUSL-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.20
Rot. Bonds4

About 1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone

1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone (PubChem CID 54279792) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone
PubChem CID54279792
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(C2CCCCCC2)cc1
InChIInChI=1S/C18H22N2O/c21-18(13-20-12-11-19-14-20)17-9-7-16(8-10-17)15-5-3-1-2-4-6-15/h7-12,14-15H,1-6,13H2
InChIKeyRQAAKNPVKMLUSL-UHFFFAOYSA-N
XLogP4.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopentyl-2-methylphenyl)-2-imidazol-1-ylethanone
CID 20561718
(2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid
CID 683165
(2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoate
CID 7307672
2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone
CID 14988698
(4-cyclohexylphenyl)-pyridin-4-ylmethanone
CID 43160506
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone
CID 116505606
[(3S)-3-(4-fluorophenyl)azepan-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 99873260
4-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
CID 154775619
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004

Frequently Asked Questions

What is the IUPAC name of 1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone (CID 54279792) is 1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)c1ccc(C2CCCCCC2)cc1.
What is the InChIKey of 1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone?
The InChIKey is RQAAKNPVKMLUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(13-20-12-11-19-14-20)17-9-7-16(8-10-17)15-5-3-1-2-4-6-15/h7-12,14-15H,1-6,13H2.
What are the key properties of 1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone?
1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone has a molecular weight of 282.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 54279792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).