3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide

C20H19F2N3O2 — CID 46102914

IUPAC3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide
SMILESCOCC(C)NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H19F2N3O2/c1-13(11-27-2)24-20(26)19-10-23-12-25(19)16-6-3-14(4-7-16)15-5-8-17(21)18(22)9-15/h3-10,12-13H,11H2,1-2H3,(H,24,26)
InChIKeyTVUYCKZDSWOVLR-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.58
Rot. Bonds6

About 3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide

3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide (PubChem CID 46102914) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide
PubChem CID46102914
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide
SMILESCOCC(C)NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H19F2N3O2/c1-13(11-27-2)24-20(26)19-10-23-12-25(19)16-6-3-14(4-7-16)15-5-8-17(21)18(22)9-15/h3-10,12-13H,11H2,1-2H3,(H,24,26)
InChIKeyTVUYCKZDSWOVLR-UHFFFAOYSA-N
XLogP3.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide with MolForge

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Related Compounds

3H-Imidazole-4-carboxylic acid, 3-methyl-5-[(pyridin-4-ylmethyl)amino]-, (4-tert-butylphenyl)amide
CID 6425419
MAT-POS-f2460aef-3
CID 156907054
1-methyl-N-(3-methyl-4-(trifluoromethyl)phenyl)-4-(pyridin-4-ylmethylamino)-1H-imidazole-5-carboxamide
CID 44439457
N-(2-fluoro-5-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 8002584
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-propylimidazole-4-carboxamide;dihydrochloride
CID 54578099
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide
CID 167098739
N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)-1H-imidazole-4-carboxamide
CID 3841300
N-(4-carbamoylphenyl)-3-phenylimidazole-4-carboxamide
CID 16311107
N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
CID 24828312
1-methyl-4-(pyridin-4-ylmethylamino)-N-(3-(trifluoromethyl)phenyl)-1H-imidazole-5-carboxamide
CID 44439359
N-(4-isopropylphenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-imidazole-5-carboxamide
CID 44439365
N-(3,4-bis(trifluoromethyl)phenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-imidazole-5-carboxamide
CID 44439453

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide (CID 46102914) is 3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide is COCC(C)NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide?
The InChIKey is TVUYCKZDSWOVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-13(11-27-2)24-20(26)19-10-23-12-25(19)16-6-3-14(4-7-16)15-5-8-17(21)18(22)9-15/h3-10,12-13H,11H2,1-2H3,(H,24,26).
What are the key properties of 3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide?
3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-difluorophenyl)phenyl]-N-(1-methoxypropan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 46102914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).