2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine

C22H21N5 — CID 50976189

IUPAC2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine
SMILESC=CCn1cc(-c2c(-c3ccccc3)ncn2CCc2ccccn2)cn1
InChIInChI=1S/C22H21N5/c1-2-13-27-16-19(15-25-27)22-21(18-8-4-3-5-9-18)24-17-26(22)14-11-20-10-6-7-12-23-20/h2-10,12,15-17H,1,11,13-14H2
InChIKeyWKDCERUIHSSYGK-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.24
Rot. Bonds7

About 2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine

2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine (PubChem CID 50976189) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine
PubChem CID50976189
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine
SMILESC=CCn1cc(-c2c(-c3ccccc3)ncn2CCc2ccccn2)cn1
InChIInChI=1S/C22H21N5/c1-2-13-27-16-19(15-25-27)22-21(18-8-4-3-5-9-18)24-17-26(22)14-11-20-10-6-7-12-23-20/h2-10,12,15-17H,1,11,13-14H2
InChIKeyWKDCERUIHSSYGK-UHFFFAOYSA-N
XLogP4.24
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol
CID 50959540
1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole
CID 75590083
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
5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole
CID 50980964
2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]-1-prop-2-enylbenzimidazole
CID 50959483
2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine
CID 50976236
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
CID 75501790
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
CID 62223980

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine (CID 50976189) is 2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine is C=CCn1cc(-c2c(-c3ccccc3)ncn2CCc2ccccn2)cn1.
What is the InChIKey of 2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine?
The InChIKey is WKDCERUIHSSYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-2-13-27-16-19(15-25-27)22-21(18-8-4-3-5-9-18)24-17-26(22)14-11-20-10-6-7-12-23-20/h2-10,12,15-17H,1,11,13-14H2.
What are the key properties of 2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine?
2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine has a molecular weight of 355.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine is sourced from PubChem (CID 50976189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).