4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine

C19H18N6 — CID 50985644

IUPAC4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
SMILESCc1cn(CCn2cnc(-c3ccccc3)c2-c2ccncc2)nn1
InChIInChI=1S/C19H18N6/c1-15-13-25(23-22-15)12-11-24-14-21-18(16-5-3-2-4-6-16)19(24)17-7-9-20-10-8-17/h2-10,13-14H,11-12H2,1H3
InChIKeyDQMFOZWKRNHEMU-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.21
Rot. Bonds5

About 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine

4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine (PubChem CID 50985644) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
PubChem CID50985644
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
SMILESCc1cn(CCn2cnc(-c3ccccc3)c2-c2ccncc2)nn1
InChIInChI=1S/C19H18N6/c1-15-13-25(23-22-15)12-11-24-14-21-18(16-5-3-2-4-6-16)19(24)17-7-9-20-10-8-17/h2-10,13-14H,11-12H2,1H3
InChIKeyDQMFOZWKRNHEMU-UHFFFAOYSA-N
XLogP3.21
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
CID 50979039
4,5-diphenyl-1-propylimidazole
CID 14950648
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
CID 70723096
4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
CID 50957636
N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine
CID 50981837
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone
CID 167352501
3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine
CID 174304834
4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine
CID 10668078
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 50954542
4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
CID 50978507
3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid
CID 67015142

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine?
The IUPAC name of 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine (CID 50985644) is 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine?
The canonical SMILES for 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine is Cc1cn(CCn2cnc(-c3ccccc3)c2-c2ccncc2)nn1.
What is the InChIKey of 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine?
The InChIKey is DQMFOZWKRNHEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-15-13-25(23-22-15)12-11-24-14-21-18(16-5-3-2-4-6-16)19(24)17-7-9-20-10-8-17/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine?
4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine has a molecular weight of 330.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine is sourced from PubChem (CID 50985644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).