4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine

C22H25N3O2 — CID 170512463

IUPAC4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
SMILESCOc1c(C)cc(C)cc1-c1nccn1[C@@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C22H25N3O2/c1-15-10-16(2)21(26-3)19(11-15)22-24-8-9-25(22)20-14-27-13-18(20)12-17-4-6-23-7-5-17/h4-11,18,20H,12-14H2,1-3H3/t18-,20-/m1/s1
InChIKeyUWBYUHCFKWTQBW-UYAOXDASSA-N
MW363.46 g/mol
LogP4.00
Rot. Bonds5

About 4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine

4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine (PubChem CID 170512463) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
PubChem CID170512463
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
SMILESCOc1c(C)cc(C)cc1-c1nccn1[C@@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C22H25N3O2/c1-15-10-16(2)21(26-3)19(11-15)22-24-8-9-25(22)20-14-27-13-18(20)12-17-4-6-23-7-5-17/h4-11,18,20H,12-14H2,1-3H3/t18-,20-/m1/s1
InChIKeyUWBYUHCFKWTQBW-UYAOXDASSA-N
XLogP4.00
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine?
The IUPAC name of 4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine (CID 170512463) is 4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine?
The canonical SMILES for 4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine is COc1c(C)cc(C)cc1-c1nccn1[C@@H]1COC[C@H]1Cc1ccncc1.
What is the InChIKey of 4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine?
The InChIKey is UWBYUHCFKWTQBW-UYAOXDASSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-10-16(2)21(26-3)19(11-15)22-24-8-9-25(22)20-14-27-13-18(20)12-17-4-6-23-7-5-17/h4-11,18,20H,12-14H2,1-3H3/t18-,20-/m1/s1.
What are the key properties of 4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine?
4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine has a molecular weight of 363.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine is sourced from PubChem (CID 170512463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).