(4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C13H12F3N3 — CID 1491412

IUPAC(4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESFC(F)(F)c1cccc([C@H]2NCCc3[nH]cnc32)c1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)9-3-1-2-8(6-9)11-12-10(4-5-17-11)18-7-19-12/h1-3,6-7,11,17H,4-5H2,(H,18,19)/t11-/m1/s1
InChIKeyBSYJUQDHTDPFMZ-LLVKDONJSA-N
MW267.25 g/mol
LogP2.66
Rot. Bonds1

About (4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

(4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 1491412) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is (4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID1491412
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name(4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESFC(F)(F)c1cccc([C@H]2NCCc3[nH]cnc32)c1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)9-3-1-2-8(6-9)11-12-10(4-5-17-11)18-7-19-12/h1-3,6-7,11,17H,4-5H2,(H,18,19)/t11-/m1/s1
InChIKeyBSYJUQDHTDPFMZ-LLVKDONJSA-N
XLogP2.66
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4669937
(4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 40803405
4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate
CID 47000675
(4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95127660
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
N-benzyl-5-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]pyrimidin-2-amine
CID 95220632
3-[3-(trifluoromethyl)phenyl]pyrazolidine
CID 105469483
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3677590
(4R)-4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 41043990
(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine
CID 129367454

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 1491412) is (4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is FC(F)(F)c1cccc([C@H]2NCCc3[nH]cnc32)c1.
What is the InChIKey of (4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is BSYJUQDHTDPFMZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-13(15,16)9-3-1-2-8(6-9)11-12-10(4-5-17-11)18-7-19-12/h1-3,6-7,11,17H,4-5H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
(4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 267.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 1491412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).