N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide

C20H18F3N3O3 — CID 4904351

IUPACN-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide
SMILESCOc1ccccc1CN1C(=O)C(NC(C)=O)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C20H18F3N3O3/c1-13(27)24-19(20(21,22)23)18(28)26(12-15-10-6-7-11-16(15)29-2)17(25-19)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyHHYHMHBAZSRKLN-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.88
Rot. Bonds5

About N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide

N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide (PubChem CID 4904351) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide
PubChem CID4904351
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide
SMILESCOc1ccccc1CN1C(=O)C(NC(C)=O)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C20H18F3N3O3/c1-13(27)24-19(20(21,22)23)18(28)26(12-15-10-6-7-11-16(15)29-2)17(25-19)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyHHYHMHBAZSRKLN-UHFFFAOYSA-N
XLogP2.88
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxybenzyl)-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide
CID 15987560
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-6-(2-methoxyphenyl)-2-oxo-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-1-yl]acetamide
CID 11103558
N-(cyclohexylcarbamoyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
CID 2498635
2-Methoxy-N-{1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-YL}benzamide
CID 15987566
2-[2-(3-fluorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20962383
2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)-N-(2-(trifluoromethoxy)benzyl)acetamide
CID 49675572
2-[2-(difluoromethoxy)-6-methoxyphenyl]-5-(dipropylamino)-4-methyl-1H-pyrimidin-6-one
CID 136186042
2-methoxy-N-[4-oxo-2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-5-yl]benzamide
CID 3424073
1-[(4-Fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
CID 46337612
2-[(2,5-difluorobenzyl)amino]-N-(2-methoxybenzyl)acetamide
CID 50960277
N-(4-methylbenzyl)-2-{3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl}acetamide
CID 51369331
N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide
CID 92699003

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide (CID 4904351) is N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide is COc1ccccc1CN1C(=O)C(NC(C)=O)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide?
The InChIKey is HHYHMHBAZSRKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-13(27)24-19(20(21,22)23)18(28)26(12-15-10-6-7-11-16(15)29-2)17(25-19)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide?
N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide has a molecular weight of 405.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide is sourced from PubChem (CID 4904351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).