1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide

C16H18F3N3O2 — CID 57175495

IUPAC1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide
SMILESC[C@H](O)[C@@H](CCc1ccccc1C(F)(F)F)n1cnc(C(N)=O)c1
InChIInChI=1S/C16H18F3N3O2/c1-10(23)14(22-8-13(15(20)24)21-9-22)7-6-11-4-2-3-5-12(11)16(17,18)19/h2-5,8-10,14,23H,6-7H2,1H3,(H2,20,24)/t10-,14+/m0/s1
InChIKeyRSNSLBGXQTVMAP-IINYFYTJSA-N
MW341.33 g/mol
LogP2.56
Rot. Bonds6

About 1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide

1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide (PubChem CID 57175495) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide
PubChem CID57175495
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide
SMILESC[C@H](O)[C@@H](CCc1ccccc1C(F)(F)F)n1cnc(C(N)=O)c1
InChIInChI=1S/C16H18F3N3O2/c1-10(23)14(22-8-13(15(20)24)21-9-22)7-6-11-4-2-3-5-12(11)16(17,18)19/h2-5,8-10,14,23H,6-7H2,1H3,(H2,20,24)/t10-,14+/m0/s1
InChIKeyRSNSLBGXQTVMAP-IINYFYTJSA-N
XLogP2.56
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide (CID 57175495) is 1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide is C[C@H](O)[C@@H](CCc1ccccc1C(F)(F)F)n1cnc(C(N)=O)c1.
What is the InChIKey of 1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide?
The InChIKey is RSNSLBGXQTVMAP-IINYFYTJSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-10(23)14(22-8-13(15(20)24)21-9-22)7-6-11-4-2-3-5-12(11)16(17,18)19/h2-5,8-10,14,23H,6-7H2,1H3,(H2,20,24)/t10-,14+/m0/s1.
What are the key properties of 1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide?
1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 57175495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).