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

C16H19F2N3 — CID 103587615

IUPAC1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cc(F)c(-n2c(C(C)C)nc3c2CCNC3)cc1F
InChIInChI=1S/C16H19F2N3/c1-9(2)16-20-13-8-19-5-4-14(13)21(16)15-7-11(17)10(3)6-12(15)18/h6-7,9,19H,4-5,8H2,1-3H3
InChIKeyBPPOSOOFXZOQFF-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.23
Rot. Bonds2

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

1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 103587615) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID103587615
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cc(F)c(-n2c(C(C)C)nc3c2CCNC3)cc1F
InChIInChI=1S/C16H19F2N3/c1-9(2)16-20-13-8-19-5-4-14(13)21(16)15-7-11(17)10(3)6-12(15)18/h6-7,9,19H,4-5,8H2,1-3H3
InChIKeyBPPOSOOFXZOQFF-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 103587615) is 1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1cc(F)c(-n2c(C(C)C)nc3c2CCNC3)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is BPPOSOOFXZOQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-9(2)16-20-13-8-19-5-4-14(13)21(16)15-7-11(17)10(3)6-12(15)18/h6-7,9,19H,4-5,8H2,1-3H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 291.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 103587615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).