1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide

C18H19F3N6O — CID 164869400

IUPAC1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc(C(F)(F)F)cn2C)c1
InChIInChI=1S/C18H19F3N6O/c1-11(7-15-25-22-10-27(15)3)12-5-4-6-13(8-12)23-17(28)16-24-14(9-26(16)2)18(19,20)21/h4-6,8-11H,7H2,1-3H3,(H,23,28)/t11-/m1/s1
InChIKeyBEVZJTTYCCJRSH-LLVKDONJSA-N
MW392.39 g/mol
LogP3.17
Rot. Bonds5

About 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide

1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide (PubChem CID 164869400) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide
PubChem CID164869400
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc(C(F)(F)F)cn2C)c1
InChIInChI=1S/C18H19F3N6O/c1-11(7-15-25-22-10-27(15)3)12-5-4-6-13(8-12)23-17(28)16-24-14(9-26(16)2)18(19,20)21/h4-6,8-11H,7H2,1-3H3,(H,23,28)/t11-/m1/s1
InChIKeyBEVZJTTYCCJRSH-LLVKDONJSA-N
XLogP3.17
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5-[4-(4-methylimidazol-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 66857904
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5-[6-methyl-5-(4-methylimidazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-amine
CID 67606625
N-(2-methyl-2H-1,2,3-triazol-4-yl)-1-(3-(trifluoromethyl)benzyl)-1H-imidazole-4-carboxamide
CID 53325505
1H-Pyrazole-3-carboxamide, N-[3-[(6R)-8-amino-5,6-dihydro-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)-
CID 71449474
[(2R)-2-benzhydrylpyrrolidin-1-yl]-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]methanone
CID 134810862
N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4405336
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 58081301
USRE48711, Example 189
CID 58102935
US10213427, Example 65
CID 88574032
US10213427, Example 62
CID 88574035
US10213427, Example 56
CID 88574128
N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide
CID 118307952

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide (CID 164869400) is 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc(C(F)(F)F)cn2C)c1.
What is the InChIKey of 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide?
The InChIKey is BEVZJTTYCCJRSH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-11(7-15-25-22-10-27(15)3)12-5-4-6-13(8-12)23-17(28)16-24-14(9-26(16)2)18(19,20)21/h4-6,8-11H,7H2,1-3H3,(H,23,28)/t11-/m1/s1.
What are the key properties of 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide?
1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)imidazole-2-carboxamide is sourced from PubChem (CID 164869400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).