2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine

C19H14FN5 — CID 22380244

IUPAC2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine
SMILESC#CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cccnc21
InChIInChI=1S/C19H14FN5/c1-2-10-25-17(23-16-7-4-8-21-19(16)25)13-24-11-9-22-18(24)14-5-3-6-15(20)12-14/h1,3-9,11-12H,10,13H2
InChIKeyOZIQUMFLKIOAMB-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.12
Rot. Bonds4

About 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine

2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine (PubChem CID 22380244) has the molecular formula C19H14FN5 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine
PubChem CID22380244
Molecular FormulaC19H14FN5
Molecular Weight331.35 g/mol
Exact Mass331.12
IUPAC Name2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine
SMILESC#CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cccnc21
InChIInChI=1S/C19H14FN5/c1-2-10-25-17(23-16-7-4-8-21-19(16)25)13-24-11-9-22-18(24)14-5-3-6-15(20)12-14/h1,3-9,11-12H,10,13H2
InChIKeyOZIQUMFLKIOAMB-UHFFFAOYSA-N
XLogP3.12
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine
CID 22379933
3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812067
1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
CID 22380200
3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812062
2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine
CID 20812108
2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
CID 20812124
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
CID 91256666
3-[(3-fluorophenyl)methyl]-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164729
3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289581
2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117166729
3-ethyl-2-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 22380033

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine (CID 22380244) is 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine is C#CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cccnc21.
What is the InChIKey of 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine?
The InChIKey is OZIQUMFLKIOAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5/c1-2-10-25-17(23-16-7-4-8-21-19(16)25)13-24-11-9-22-18(24)14-5-3-6-15(20)12-14/h1,3-9,11-12H,10,13H2.
What are the key properties of 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine?
2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine has a molecular weight of 331.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine is sourced from PubChem (CID 22380244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).