2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine

C19H17F2N5 — CID 22379933

IUPAC2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine
SMILESCCCn1c(Cn2ccnc2-c2cc(F)cc(F)c2)nc2cccnc21
InChIInChI=1S/C19H17F2N5/c1-2-7-26-17(24-16-4-3-5-22-19(16)26)12-25-8-6-23-18(25)13-9-14(20)11-15(21)10-13/h3-6,8-11H,2,7,12H2,1H3
InChIKeyBOCTUWHZESDQLT-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.03
Rot. Bonds5

About 2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine

2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine (PubChem CID 22379933) has the molecular formula C19H17F2N5 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine
PubChem CID22379933
Molecular FormulaC19H17F2N5
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine
SMILESCCCn1c(Cn2ccnc2-c2cc(F)cc(F)c2)nc2cccnc21
InChIInChI=1S/C19H17F2N5/c1-2-7-26-17(24-16-4-3-5-22-19(16)26)12-25-8-6-23-18(25)13-9-14(20)11-15(21)10-13/h3-6,8-11H,2,7,12H2,1H3
InChIKeyBOCTUWHZESDQLT-UHFFFAOYSA-N
XLogP4.03
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine
CID 22380244
3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 70838226
2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine
CID 20812108
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812067
5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812018
3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812062
3-ethyl-2-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 22380033
1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
CID 91256666
1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
CID 22380200
1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
CID 22379969
2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
CID 20812124

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine (CID 22379933) is 2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine is CCCn1c(Cn2ccnc2-c2cc(F)cc(F)c2)nc2cccnc21.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine?
The InChIKey is BOCTUWHZESDQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5/c1-2-7-26-17(24-16-4-3-5-22-19(16)26)12-25-8-6-23-18(25)13-9-14(20)11-15(21)10-13/h3-6,8-11H,2,7,12H2,1H3.
What are the key properties of 2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine?
2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine has a molecular weight of 353.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 22379933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).