2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone

C17H20FN3O — CID 110872772

IUPAC2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
SMILESCC(C)n1cnc2c1CN(C(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C17H20FN3O/c1-12(2)21-11-19-15-7-8-20(10-16(15)21)17(22)9-13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYMPUKXPEGMETOM-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.73
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone

2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 110872772) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
PubChem CID110872772
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
SMILESCC(C)n1cnc2c1CN(C(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C17H20FN3O/c1-12(2)21-11-19-15-7-8-20(10-16(15)21)17(22)9-13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYMPUKXPEGMETOM-UHFFFAOYSA-N
XLogP2.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)ethanone
CID 112533024
4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110708991
N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 83273778
(2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110867100
1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872795
(2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872759
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]ethanone
CID 108751170
1-[1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 75452424
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone
CID 110773051
2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 53145210
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone (CID 110872772) is 2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone is CC(C)n1cnc2c1CN(C(=O)Cc1ccc(F)cc1)CC2.
What is the InChIKey of 2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is YMPUKXPEGMETOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12(2)21-11-19-15-7-8-20(10-16(15)21)17(22)9-13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone?
2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 301.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 110872772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).