3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide

C18H22ClFN4 — CID 129239007

IUPAC3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(CN2CCN3C2=CC=CC3CCC)c(Cl)c1
InChIInChI=1S/C18H22ClFN4/c1-2-4-13-5-3-6-17-23(7-8-24(13)17)11-14-15(19)9-12(18(21)22)10-16(14)20/h3,5-6,9-10,13H,2,4,7-8,11H2,1H3,(H3,21,22)
InChIKeyQYCXYLGROQELOV-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.46
Rot. Bonds5

About 3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide

3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide (PubChem CID 129239007) has the molecular formula C18H22ClFN4 and a molecular weight of 348.85 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide
PubChem CID129239007
Molecular FormulaC18H22ClFN4
Molecular Weight348.85 g/mol
Exact Mass348.15
IUPAC Name3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(CN2CCN3C2=CC=CC3CCC)c(Cl)c1
InChIInChI=1S/C18H22ClFN4/c1-2-4-13-5-3-6-17-23(7-8-24(13)17)11-14-15(19)9-12(18(21)22)10-16(14)20/h3,5-6,9-10,13H,2,4,7-8,11H2,1H3,(H3,21,22)
InChIKeyQYCXYLGROQELOV-UHFFFAOYSA-N
XLogP3.46
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide (CID 129239007) is 3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(CN2CCN3C2=CC=CC3CCC)c(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is QYCXYLGROQELOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN4/c1-2-4-13-5-3-6-17-23(7-8-24(13)17)11-14-15(19)9-12(18(21)22)10-16(14)20/h3,5-6,9-10,13H,2,4,7-8,11H2,1H3,(H3,21,22).
What are the key properties of 3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide?
3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 348.85 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-4-[(5-propyl-3,5-dihydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 129239007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).