2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone

C15H20N2O2 — CID 116826142

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
SMILESCOc1ccc(C(C)C)cc1C(=O)CC1=NCCN1
InChIInChI=1S/C15H20N2O2/c1-10(2)11-4-5-14(19-3)12(8-11)13(18)9-15-16-6-7-17-15/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyCYISCQAIGIGFEM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.39
Rot. Bonds5

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone

2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone (PubChem CID 116826142) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
PubChem CID116826142
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
SMILESCOc1ccc(C(C)C)cc1C(=O)CC1=NCCN1
InChIInChI=1S/C15H20N2O2/c1-10(2)11-4-5-14(19-3)12(8-11)13(18)9-15-16-6-7-17-15/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyCYISCQAIGIGFEM-UHFFFAOYSA-N
XLogP2.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone
CID 116826133
2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 82053950
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963
1-(2-methoxy-5-propan-2-ylphenyl)pentane-1,4-dione
CID 94689449
1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053961
1-(2-methoxy-5-propan-2-ylphenyl)butane-1,2-dione
CID 94686155
1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one
CID 82282797
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110800214
[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803045
2-(hydroxymethyl)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-one
CID 116923029
3-amino-4-(2-methoxy-5-propan-2-ylphenyl)-4-oxobutanoic acid
CID 82349179
1-[5-(difluoromethyl)-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117330012

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone (CID 116826142) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone is COc1ccc(C(C)C)cc1C(=O)CC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone?
The InChIKey is CYISCQAIGIGFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)11-4-5-14(19-3)12(8-11)13(18)9-15-16-6-7-17-15/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone has a molecular weight of 260.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 116826142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).