1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C16H20FN3 — CID 64858713

IUPAC1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cc(-n2c(C(C)C)nc3c2CCNC3)ccc1F
InChIInChI=1S/C16H20FN3/c1-10(2)16-19-14-9-18-7-6-15(14)20(16)12-4-5-13(17)11(3)8-12/h4-5,8,10,18H,6-7,9H2,1-3H3
InChIKeyNHNKKKFZQMVQBR-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.09
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858713) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858713
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cc(-n2c(C(C)C)nc3c2CCNC3)ccc1F
InChIInChI=1S/C16H20FN3/c1-10(2)16-19-14-9-18-7-6-15(14)20(16)12-4-5-13(17)11(3)8-12/h4-5,8,10,18H,6-7,9H2,1-3H3
InChIKeyNHNKKKFZQMVQBR-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858713) is 1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1cc(-n2c(C(C)C)nc3c2CCNC3)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is NHNKKKFZQMVQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-10(2)16-19-14-9-18-7-6-15(14)20(16)12-4-5-13(17)11(3)8-12/h4-5,8,10,18H,6-7,9H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 273.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).