4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one

C18H16F3N7O — CID 135372271

IUPAC4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one
SMILESO=C1NCC(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)N1
InChIInChI=1S/C18H16F3N7O/c19-18(20,21)11-5-7-12(8-6-11)23-15-4-2-1-3-14(15)16-25-27-28(26-16)10-13-9-22-17(29)24-13/h1-8,13,23H,9-10H2,(H2,22,24,29)
InChIKeySUOVVNJLELDBDG-UHFFFAOYSA-N
MW403.37 g/mol
LogP2.78
Rot. Bonds5

About 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one

4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one (PubChem CID 135372271) has the molecular formula C18H16F3N7O and a molecular weight of 403.37 g/mol. Its IUPAC name is 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one
PubChem CID135372271
Molecular FormulaC18H16F3N7O
Molecular Weight403.37 g/mol
Exact Mass403.14
IUPAC Name4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one
SMILESO=C1NCC(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)N1
InChIInChI=1S/C18H16F3N7O/c19-18(20,21)11-5-7-12(8-6-11)23-15-4-2-1-3-14(15)16-25-27-28(26-16)10-13-9-22-17(29)24-13/h1-8,13,23H,9-10H2,(H2,22,24,29)
InChIKeySUOVVNJLELDBDG-UHFFFAOYSA-N
XLogP2.78
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
N-(2-{2-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 650750
N-[3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propyl]acetamide
CID 135371577
4-((5-(2-((4-(trifluoromethyl)phenyl)amino)phenyl)-2H-tetrazol-2-yl)methyl)oxazolidin-2-one
CID 135372049
2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372055
2-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethylurea
CID 135372057
2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372071
3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]azetidin-3-ol
CID 135372123
2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372128
2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372222
3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]pyrrolidin-3-ol
CID 135372264
N-[2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 135372350

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one?
The IUPAC name of 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one (CID 135372271) is 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one.
What is the SMILES notation for 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one?
The canonical SMILES for 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one is O=C1NCC(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)N1.
What is the InChIKey of 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one?
The InChIKey is SUOVVNJLELDBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7O/c19-18(20,21)11-5-7-12(8-6-11)23-15-4-2-1-3-14(15)16-25-27-28(26-16)10-13-9-22-17(29)24-13/h1-8,13,23H,9-10H2,(H2,22,24,29).
What are the key properties of 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one?
4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one has a molecular weight of 403.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one is sourced from PubChem (CID 135372271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).