1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C14H15F2N3 — CID 64858850

IUPAC1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c(n1-c1ccc(F)c(F)c1)CCNC2
InChIInChI=1S/C14H15F2N3/c1-2-14-18-12-8-17-6-5-13(12)19(14)9-3-4-10(15)11(16)7-9/h3-4,7,17H,2,5-6,8H2,1H3
InChIKeyMLZHWLIEGQGENI-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.36
Rot. Bonds2

About 1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858850) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858850
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c(n1-c1ccc(F)c(F)c1)CCNC2
InChIInChI=1S/C14H15F2N3/c1-2-14-18-12-8-17-6-5-13(12)19(14)9-3-4-10(15)11(16)7-9/h3-4,7,17H,2,5-6,8H2,1H3
InChIKeyMLZHWLIEGQGENI-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858850) is 1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1nc2c(n1-c1ccc(F)c(F)c1)CCNC2.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MLZHWLIEGQGENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-2-14-18-12-8-17-6-5-13(12)19(14)9-3-4-10(15)11(16)7-9/h3-4,7,17H,2,5-6,8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 263.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).