N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide

C25H25F3N4O4 — CID 66792170

IUPACN-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide
SMILESCC(O)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4nccn4C)CC3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C25H25F3N4O4/c1-15(33)17-5-8-20(19(13-17)25(26,27)28)36-18-6-3-16(4-7-18)14-30-23(35)24(9-10-24)31-22(34)21-29-11-12-32(21)2/h3-8,11-13,15,33H,9-10,14H2,1-2H3,(H,30,35)(H,31,34)
InChIKeyBTURLXIVBNXXJM-UHFFFAOYSA-N
MW502.49 g/mol
LogP3.86
Rot. Bonds8

About N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide

N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide (PubChem CID 66792170) has the molecular formula C25H25F3N4O4 and a molecular weight of 502.49 g/mol. Its IUPAC name is N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide
PubChem CID66792170
Molecular FormulaC25H25F3N4O4
Molecular Weight502.49 g/mol
Exact Mass502.18
IUPAC NameN-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide
SMILESCC(O)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4nccn4C)CC3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C25H25F3N4O4/c1-15(33)17-5-8-20(19(13-17)25(26,27)28)36-18-6-3-16(4-7-18)14-30-23(35)24(9-10-24)31-22(34)21-29-11-12-32(21)2/h3-8,11-13,15,33H,9-10,14H2,1-2H3,(H,30,35)(H,31,34)
InChIKeyBTURLXIVBNXXJM-UHFFFAOYSA-N
XLogP3.86
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.49
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]pyrimidin-2-yl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 70854465
N-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methyl]-4-(3,3,3-trifluoropropanoylamino)oxane-4-carboxamide
CID 89026429
N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-2H-triazole-4-carboxamide
CID 70854646
CID 87152874
CID 87152874
N-[1-[[4-[2-bromo-4-(1-hydroxyethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 71024524
5-amino-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 70854611
6-chloro-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide
CID 89035809
5-chloro-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 70854608
N-[1-[[3-chloro-5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 70854450
methyl 4-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]phenoxy]-3-(trifluoromethyl)benzoate
CID 66792184
N-[1-[[4-[4-chloro-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 66792381
6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide
CID 58487779

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide (CID 66792170) is N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide is CC(O)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4nccn4C)CC3)cc2)c(C(F)(F)F)c1.
What is the InChIKey of N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide?
The InChIKey is BTURLXIVBNXXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4/c1-15(33)17-5-8-20(19(13-17)25(26,27)28)36-18-6-3-16(4-7-18)14-30-23(35)24(9-10-24)31-22(34)21-29-11-12-32(21)2/h3-8,11-13,15,33H,9-10,14H2,1-2H3,(H,30,35)(H,31,34).
What are the key properties of N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide?
N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide has a molecular weight of 502.49 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 66792170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).