2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine

C12H14FN3 — CID 115065500

IUPAC2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine
SMILESFc1cccc(C2=NC3CCNCC3N2)c1
InChIInChI=1S/C12H14FN3/c13-9-3-1-2-8(6-9)12-15-10-4-5-14-7-11(10)16-12/h1-3,6,10-11,14H,4-5,7H2,(H,15,16)
InChIKeyPVJNVIFICJDOGM-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.91
Rot. Bonds1

About 2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine

2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 115065500) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine
PubChem CID115065500
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine
SMILESFc1cccc(C2=NC3CCNCC3N2)c1
InChIInChI=1S/C12H14FN3/c13-9-3-1-2-8(6-9)12-15-10-4-5-14-7-11(10)16-12/h1-3,6,10-11,14H,4-5,7H2,(H,15,16)
InChIKeyPVJNVIFICJDOGM-UHFFFAOYSA-N
XLogP0.91
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 134836167
5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
2-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-amine
CID 115065665
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 105490713
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965376
4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 66490831
2-(4-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065734
4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115054030
(4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 89264793
4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 10309456
3-fluoro-4-(3-fluorophenyl)piperidine
CID 83855496
N-(3-fluorophenyl)-N,4-dimethylpiperidin-3-amine
CID 66273075

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine (CID 115065500) is 2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine is Fc1cccc(C2=NC3CCNCC3N2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is PVJNVIFICJDOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-9-3-1-2-8(6-9)12-15-10-4-5-14-7-11(10)16-12/h1-3,6,10-11,14H,4-5,7H2,(H,15,16).
What are the key properties of 2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine?
2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 219.26 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 115065500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).