2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine

C22H25N3O — CID 164857267

IUPAC2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine
SMILESCc1ccc(-c2ccc(-c3ncn(CC4CCCCO4)c3C)cc2)cn1
InChIInChI=1S/C22H25N3O/c1-16-6-7-20(13-23-16)18-8-10-19(11-9-18)22-17(2)25(15-24-22)14-21-5-3-4-12-26-21/h6-11,13,15,21H,3-5,12,14H2,1-2H3
InChIKeyNLEXACUORPZLOA-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.80
Rot. Bonds4

About 2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine

2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine (PubChem CID 164857267) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine
PubChem CID164857267
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine
SMILESCc1ccc(-c2ccc(-c3ncn(CC4CCCCO4)c3C)cc2)cn1
InChIInChI=1S/C22H25N3O/c1-16-6-7-20(13-23-16)18-8-10-19(11-9-18)22-17(2)25(15-24-22)14-21-5-3-4-12-26-21/h6-11,13,15,21H,3-5,12,14H2,1-2H3
InChIKeyNLEXACUORPZLOA-UHFFFAOYSA-N
XLogP4.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole
CID 95138059
6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529
N-[4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]phenyl]acetamide
CID 95135000
4-[4-(2-cyclopropylethynyl)phenyl]-5-methyl-1-[[(2R)-oxan-2-yl]methyl]triazole
CID 164858228
1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
CID 114971598
1-(oxan-2-ylmethyl)benzimidazol-5-amine
CID 62506253
2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 114718438
3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol
CID 50970566
N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide
CID 50951245
1,3-dimethyl-7-(oxan-2-ylmethyl)purine-2,6-dione
CID 18775675
3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine
CID 114704529
1-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 54942703

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine?
The IUPAC name of 2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine (CID 164857267) is 2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine.
What is the SMILES notation for 2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine?
The canonical SMILES for 2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine is Cc1ccc(-c2ccc(-c3ncn(CC4CCCCO4)c3C)cc2)cn1.
What is the InChIKey of 2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine?
The InChIKey is NLEXACUORPZLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-6-7-20(13-23-16)18-8-10-19(11-9-18)22-17(2)25(15-24-22)14-21-5-3-4-12-26-21/h6-11,13,15,21H,3-5,12,14H2,1-2H3.
What are the key properties of 2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine?
2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine has a molecular weight of 347.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine is sourced from PubChem (CID 164857267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).