N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

C20H18F3N3O3 — CID 51361089

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)c1
InChIInChI=1S/C20H18F3N3O3/c1-28-14-8-9-15(29-2)13(10-14)11-24-18(27)17-16(12-6-4-3-5-7-12)25-19(26-17)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyRCMUZFAIZZOMFD-UHFFFAOYSA-N
MW405.38 g/mol
LogP4.04
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 51361089) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID51361089
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)c1
InChIInChI=1S/C20H18F3N3O3/c1-28-14-8-9-15(29-2)13(10-14)11-24-18(27)17-16(12-6-4-3-5-7-12)25-19(26-17)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyRCMUZFAIZZOMFD-UHFFFAOYSA-N
XLogP4.04
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-Dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one
CID 135415770
3-(4-chlorophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 16021659
N-[4-[4-(2-ethoxy-4-methylphenyl)piperidin-1-yl]butyl]-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide;hydrochloride
CID 44532658
N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 51361122
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
CID 51361127
(E)-3-[4-(5-cyclohexyl-7-methyl-4-oxo-3H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]prop-2-enamide
CID 136230107
3-[4-(5-cyclohexyl-7-methyl-4-oxo-3H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]propanamide
CID 136230108
2-[4-(5-cyclohexyl-7-methyl-4-oxo-3H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]cyclopropane-1-carboxamide
CID 136230109
5-[4-(5-cyclohexyl-7-methyl-4-oxo-3H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]-3H-1,3,4-oxadiazol-2-one
CID 136230191
N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 51361098
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
CID 51361130
US10947203, No. LC-79
CID 146431921

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 51361089) is N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is COc1ccc(OC)c(CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is RCMUZFAIZZOMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-28-14-8-9-15(29-2)13(10-14)11-24-18(27)17-16(12-6-4-3-5-7-12)25-19(26-17)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 51361089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).