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

C14H15F2N3 — CID 103587614

IUPAC1-(2,5-difluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cc(F)c(-n2c(C)nc3c2CCNC3)cc1F
InChIInChI=1S/C14H15F2N3/c1-8-5-11(16)14(6-10(8)15)19-9(2)18-12-7-17-4-3-13(12)19/h5-6,17H,3-4,7H2,1-2H3
InChIKeyLWRLVBCYBOCRDL-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.41
Rot. Bonds1

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

1-(2,5-difluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 103587614) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID103587614
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cc(F)c(-n2c(C)nc3c2CCNC3)cc1F
InChIInChI=1S/C14H15F2N3/c1-8-5-11(16)14(6-10(8)15)19-9(2)18-12-7-17-4-3-13(12)19/h5-6,17H,3-4,7H2,1-2H3
InChIKeyLWRLVBCYBOCRDL-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.41
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-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 103587614) is 1-(2,5-difluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1cc(F)c(-n2c(C)nc3c2CCNC3)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is LWRLVBCYBOCRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-8-5-11(16)14(6-10(8)15)19-9(2)18-12-7-17-4-3-13(12)19/h5-6,17H,3-4,7H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(2,5-difluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 263.29 g/mol, XLogP of 2.41, 1 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-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 103587614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).