[3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid

C17H12F3N3O3 — CID 170158149

IUPAC[3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid
SMILESO=C(O)Nc1cccc(-c2ncc(-c3ccc(OC(F)(F)F)cc3)[nH]2)c1
InChIInChI=1S/C17H12F3N3O3/c18-17(19,20)26-13-6-4-10(5-7-13)14-9-21-15(23-14)11-2-1-3-12(8-11)22-16(24)25/h1-9,22H,(H,21,23)(H,24,25)
InChIKeyNQOUYQSAQYJKMV-UHFFFAOYSA-N
MW363.30 g/mol
LogP4.73
Rot. Bonds4

About [3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid

[3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid (PubChem CID 170158149) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is [3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid.

Molecular Properties

Compound Name[3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid
PubChem CID170158149
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name[3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid
SMILESO=C(O)Nc1cccc(-c2ncc(-c3ccc(OC(F)(F)F)cc3)[nH]2)c1
InChIInChI=1S/C17H12F3N3O3/c18-17(19,20)26-13-6-4-10(5-7-13)14-9-21-15(23-14)11-2-1-3-12(8-11)22-16(24)25/h1-9,22H,(H,21,23)(H,24,25)
InChIKeyNQOUYQSAQYJKMV-UHFFFAOYSA-N
XLogP4.73
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid?
The IUPAC name of [3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid (CID 170158149) is [3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid.
What is the SMILES notation for [3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid?
The canonical SMILES for [3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid is O=C(O)Nc1cccc(-c2ncc(-c3ccc(OC(F)(F)F)cc3)[nH]2)c1.
What is the InChIKey of [3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid?
The InChIKey is NQOUYQSAQYJKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c18-17(19,20)26-13-6-4-10(5-7-13)14-9-21-15(23-14)11-2-1-3-12(8-11)22-16(24)25/h1-9,22H,(H,21,23)(H,24,25).
What are the key properties of [3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid?
[3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid has a molecular weight of 363.30 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamic acid is sourced from PubChem (CID 170158149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).