1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide

C8H10F3N3O2 — CID 103860044

IUPAC1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCC(O)C(F)(F)F)c1
InChIInChI=1S/C8H10F3N3O2/c1-14-3-5(13-4-14)7(16)12-2-6(15)8(9,10)11/h3-4,6,15H,2H2,1H3,(H,12,16)
InChIKeyOAOCHXXDVMNSST-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.07
Rot. Bonds3

About 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide

1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide (PubChem CID 103860044) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide
PubChem CID103860044
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCC(O)C(F)(F)F)c1
InChIInChI=1S/C8H10F3N3O2/c1-14-3-5(13-4-14)7(16)12-2-6(15)8(9,10)11/h3-4,6,15H,2H2,1H3,(H,12,16)
InChIKeyOAOCHXXDVMNSST-UHFFFAOYSA-N
XLogP0.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
CID 103803885
N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide
CID 107972296
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide
CID 107973596
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314
1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide
CID 97020056
N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazole-4-carboxamide
CID 107975187
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103730649
2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one
CID 126976762
N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide
CID 107973594
N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
CID 107973269
N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107975347

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide (CID 103860044) is 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide is Cn1cnc(C(=O)NCC(O)C(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide?
The InChIKey is OAOCHXXDVMNSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-14-3-5(13-4-14)7(16)12-2-6(15)8(9,10)11/h3-4,6,15H,2H2,1H3,(H,12,16).
What are the key properties of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide?
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide has a molecular weight of 237.18 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide is sourced from PubChem (CID 103860044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).