3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine

C21H21N5 — CID 50964809

IUPAC3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine
SMILESCc1cnccc1Cn1cnc(-c2ccccc2)c1CCn1cccn1
InChIInChI=1S/C21H21N5/c1-17-14-22-11-8-19(17)15-25-16-23-21(18-6-3-2-4-7-18)20(25)9-13-26-12-5-10-24-26/h2-8,10-12,14,16H,9,13,15H2,1H3
InChIKeyVUMBKVZSYCAIPB-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.74
Rot. Bonds6

About 3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine

3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine (PubChem CID 50964809) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine
PubChem CID50964809
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine
SMILESCc1cnccc1Cn1cnc(-c2ccccc2)c1CCn1cccn1
InChIInChI=1S/C21H21N5/c1-17-14-22-11-8-19(17)15-25-16-23-21(18-6-3-2-4-7-18)20(25)9-13-26-12-5-10-24-26/h2-8,10-12,14,16H,9,13,15H2,1H3
InChIKeyVUMBKVZSYCAIPB-UHFFFAOYSA-N
XLogP3.74
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole
CID 50967928
3-methyl-4-[2-(4-phenylphenyl)ethyl]pyridine
CID 175565400
1-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carbaldehyde
CID 114701630
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
2-[5-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-4-phenylimidazol-1-yl]ethanol
CID 50977500
2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine
CID 50976236
4,5-diphenyl-1-propylimidazole
CID 14950648
4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole
CID 50975610
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258
2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine
CID 50958682
4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29057238
4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
CID 50985644

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine?
The IUPAC name of 3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine (CID 50964809) is 3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine is Cc1cnccc1Cn1cnc(-c2ccccc2)c1CCn1cccn1.
What is the InChIKey of 3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine?
The InChIKey is VUMBKVZSYCAIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-17-14-22-11-8-19(17)15-25-16-23-21(18-6-3-2-4-7-18)20(25)9-13-26-12-5-10-24-26/h2-8,10-12,14,16H,9,13,15H2,1H3.
What are the key properties of 3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine?
3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine has a molecular weight of 343.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 50964809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).