1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone

C18H18N2O — CID 3423222

IUPAC1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN=C1Cc1ccccc1
InChIInChI=1S/C18H18N2O/c21-18(14-16-9-5-2-6-10-16)20-12-11-19-17(20)13-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKeyXDHGDNWOUKPONH-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.71
Rot. Bonds4

About 1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone

1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone (PubChem CID 3423222) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone
PubChem CID3423222
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN=C1Cc1ccccc1
InChIInChI=1S/C18H18N2O/c21-18(14-16-9-5-2-6-10-16)20-12-11-19-17(20)13-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKeyXDHGDNWOUKPONH-UHFFFAOYSA-N
XLogP2.71
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 3-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-oxopropane-1-sulfonic acid
CID 54599869
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-fluorophenyl)ethanone
CID 3669097
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)-2-phenylethanone
CID 20628468
2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride
CID 54609781
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 4055617
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-phenylphenyl)ethanone
CID 4095625
2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4246907
2-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4256420
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
CID 110472108

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone?
The IUPAC name of 1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone (CID 3423222) is 1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CCN=C1Cc1ccccc1.
What is the InChIKey of 1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone?
The InChIKey is XDHGDNWOUKPONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18(14-16-9-5-2-6-10-16)20-12-11-19-17(20)13-15-7-3-1-4-8-15/h1-10H,11-14H2.
What are the key properties of 1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone?
1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone has a molecular weight of 278.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone is sourced from PubChem (CID 3423222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).