2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide

C25H31Cl2N3O — CID 143123914

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide
SMILESCCCC(CC)C(C)NC(C)=O.Clc1ccc(-n2ccnc2-c2ccccc2Cl)cc1
InChIInChI=1S/C15H10Cl2N2.C10H21NO/c16-11-5-7-12(8-6-11)19-10-9-18-15(19)13-3-1-2-4-14(13)17;1-5-7-10(6-2)8(3)11-9(4)12/h1-10H;8,10H,5-7H2,1-4H3,(H,11,12)
InChIKeyHIGABASPVVGVDK-UHFFFAOYSA-N
MW460.45 g/mol
LogP7.18
Rot. Bonds7

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide (PubChem CID 143123914) has the molecular formula C25H31Cl2N3O and a molecular weight of 460.45 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide
PubChem CID143123914
Molecular FormulaC25H31Cl2N3O
Molecular Weight460.45 g/mol
Exact Mass459.18
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide
SMILESCCCC(CC)C(C)NC(C)=O.Clc1ccc(-n2ccnc2-c2ccccc2Cl)cc1
InChIInChI=1S/C15H10Cl2N2.C10H21NO/c16-11-5-7-12(8-6-11)19-10-9-18-15(19)13-3-1-2-4-14(13)17;1-5-7-10(6-2)8(3)11-9(4)12/h1-10H;8,10H,5-7H2,1-4H3,(H,11,12)
InChIKeyHIGABASPVVGVDK-UHFFFAOYSA-N
XLogP7.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.45
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide
CID 95120692
2-[2-(2-chlorophenyl)imidazol-1-yl]propanamide
CID 82559154
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide
CID 155116204
(2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92650949
N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide
CID 142992071
N-[4-[(2R)-butan-2-yl]phenyl]-2-[[5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2041595
2-chloro-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63836533
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 40791526
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]butanamide
CID 92650798
N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53196955

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide (CID 143123914) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide is CCCC(CC)C(C)NC(C)=O.Clc1ccc(-n2ccnc2-c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide?
The InChIKey is HIGABASPVVGVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2.C10H21NO/c16-11-5-7-12(8-6-11)19-10-9-18-15(19)13-3-1-2-4-14(13)17;1-5-7-10(6-2)8(3)11-9(4)12/h1-10H;8,10H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide has a molecular weight of 460.45 g/mol, XLogP of 7.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole;N-(3-ethylhexan-2-yl)acetamide is sourced from PubChem (CID 143123914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).