5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H16F3N3 — CID 56714216

IUPAC5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFc1cccc(C2c3nc[nH]c3CCN2Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H16F3N3/c20-14-3-1-2-13(9-14)19-18-17(23-11-24-18)6-7-25(19)10-12-4-5-15(21)16(22)8-12/h1-5,8-9,11,19H,6-7,10H2,(H,23,24)
InChIKeyMBYJGSURPDGSGU-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.97
Rot. Bonds3

About 5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56714216) has the molecular formula C19H16F3N3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56714216
Molecular FormulaC19H16F3N3
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC Name5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFc1cccc(C2c3nc[nH]c3CCN2Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H16F3N3/c20-14-3-1-2-13(9-14)19-18-17(23-11-24-18)6-7-25(19)10-12-4-5-15(21)16(22)8-12/h1-5,8-9,11,19H,6-7,10H2,(H,23,24)
InChIKeyMBYJGSURPDGSGU-UHFFFAOYSA-N
XLogP3.97
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95220011
3-[5-[(5-fluoro-2-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile
CID 56884989
(4R)-5-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethenylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95868995
(4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 99946292
4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56863784
ethane;N-[3-[4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propyl]-N,3-dimethylbenzamide
CID 90967128
N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide
CID 16729609
(4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95861166
(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95194123
3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95213134
4-(2-chloro-4-fluorophenyl)-5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56722473
5-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56708230

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56714216) is 5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Fc1cccc(C2c3nc[nH]c3CCN2Cc2ccc(F)c(F)c2)c1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MBYJGSURPDGSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3/c20-14-3-1-2-13(9-14)19-18-17(23-11-24-18)6-7-25(19)10-12-4-5-15(21)16(22)8-12/h1-5,8-9,11,19H,6-7,10H2,(H,23,24).
What are the key properties of 5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 343.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56714216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).