2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole

C8H6F3N3 — CID 175193819

IUPAC2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(-c2cc[nH]c2)[nH]1
InChIInChI=1S/C8H6F3N3/c9-8(10,11)6-4-13-7(14-6)5-1-2-12-3-5/h1-4,12H,(H,13,14)
InChIKeyYPPZTIJQSOMJPO-UHFFFAOYSA-N
MW201.15 g/mol
LogP2.42
Rot. Bonds1

About 2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole

2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 175193819) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID175193819
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(-c2cc[nH]c2)[nH]1
InChIInChI=1S/C8H6F3N3/c9-8(10,11)6-4-13-7(14-6)5-1-2-12-3-5/h1-4,12H,(H,13,14)
InChIKeyYPPZTIJQSOMJPO-UHFFFAOYSA-N
XLogP2.42
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-Pyrrol-1-yl-1H-imidazole
CID 22223704
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine
CID 10797364
N-(1H-pyrrol-2-yl)-1H-imidazol-2-amine
CID 91560703
1-(1h-Pyrrol-3-yl)-1h-imidazole
CID 129860124
2-(1H-pyrrol-3-yl)-1H-imidazole
CID 135834163
2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)-1H-imidazole
CID 141041221
4-(1H-imidazol-2-yl)-2-(trifluoromethyl)pyrimidine
CID 141380643
5-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine
CID 152077391
4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 156698674
(3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine
CID 174558977
2,4,8,12-Tetrazatricyclo[7.2.1.04,11]dodeca-1(11),2,5,7,9-pentaene
CID 123988682
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66404592

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole (CID 175193819) is 2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1cnc(-c2cc[nH]c2)[nH]1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is YPPZTIJQSOMJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-8(10,11)6-4-13-7(14-6)5-1-2-12-3-5/h1-4,12H,(H,13,14).
What are the key properties of 2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole?
2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 201.15 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 175193819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).