3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine

C20H20F3N5 — CID 70838226

IUPAC3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCCCn1c(Cn2ccnc2C2=CC=CCC2C(F)(F)F)nc2cccnc21
InChIInChI=1S/C20H20F3N5/c1-2-11-28-17(26-16-8-5-9-24-19(16)28)13-27-12-10-25-18(27)14-6-3-4-7-15(14)20(21,22)23/h3-6,8-10,12,15H,2,7,11,13H2,1H3
InChIKeyDPGYBBWIRZCXMD-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.61
Rot. Bonds5

About 3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine

3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 70838226) has the molecular formula C20H20F3N5 and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID70838226
Molecular FormulaC20H20F3N5
Molecular Weight387.41 g/mol
Exact Mass387.17
IUPAC Name3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCCCn1c(Cn2ccnc2C2=CC=CCC2C(F)(F)F)nc2cccnc21
InChIInChI=1S/C20H20F3N5/c1-2-11-28-17(26-16-8-5-9-24-19(16)28)13-27-12-10-25-18(27)14-6-3-4-7-15(14)20(21,22)23/h3-6,8-10,12,15H,2,7,11,13H2,1H3
InChIKeyDPGYBBWIRZCXMD-UHFFFAOYSA-N
XLogP4.61
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine (CID 70838226) is 3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine is CCCn1c(Cn2ccnc2C2=CC=CCC2C(F)(F)F)nc2cccnc21.
What is the InChIKey of 3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is DPGYBBWIRZCXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5/c1-2-11-28-17(26-16-8-5-9-24-19(16)28)13-27-12-10-25-18(27)14-6-3-4-7-15(14)20(21,22)23/h3-6,8-10,12,15H,2,7,11,13H2,1H3.
What are the key properties of 3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 387.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 70838226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).