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

C24H27N3O2 — CID 166618531

IUPAC4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
SMILESc1cc(C[C@@H]2COC[C@H]2n2ccnc2-c2ccc(OC3CCCC3)cc2)ccn1
InChIInChI=1S/C24H27N3O2/c1-2-4-21(3-1)29-22-7-5-19(6-8-22)24-26-13-14-27(24)23-17-28-16-20(23)15-18-9-11-25-12-10-18/h5-14,20-21,23H,1-4,15-17H2/t20-,23-/m1/s1
InChIKeyCQSXHZOLKZOBRL-NFBKMPQASA-N
MW389.50 g/mol
LogP4.70
Rot. Bonds6

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

4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine (PubChem CID 166618531) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
PubChem CID166618531
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
SMILESc1cc(C[C@@H]2COC[C@H]2n2ccnc2-c2ccc(OC3CCCC3)cc2)ccn1
InChIInChI=1S/C24H27N3O2/c1-2-4-21(3-1)29-22-7-5-19(6-8-22)24-26-13-14-27(24)23-17-28-16-20(23)15-18-9-11-25-12-10-18/h5-14,20-21,23H,1-4,15-17H2/t20-,23-/m1/s1
InChIKeyCQSXHZOLKZOBRL-NFBKMPQASA-N
XLogP4.70
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

formic acid;4-[[(3S,4S)-4-[2-(4-methylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 171708775
2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166620172
2-methoxy-4-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166620963
N,N-dimethyl-4-[1-[(3S,4R)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]aniline;formic acid
CID 171711936
2,6-dimethoxy-4-[1-[(3S,4R)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166612194
4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166623324
4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 170512463
4-[[(3S,4S)-4-[2-(4-chloro-2-methylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 170513336
2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid
CID 155940361
3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 170511440
5,7-dimethyl-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166620296
4-[[(3R,4S)-4-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine;formic acid
CID 171706955

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine?
The IUPAC name of 4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine (CID 166618531) is 4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine?
The canonical SMILES for 4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine is c1cc(C[C@@H]2COC[C@H]2n2ccnc2-c2ccc(OC3CCCC3)cc2)ccn1.
What is the InChIKey of 4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine?
The InChIKey is CQSXHZOLKZOBRL-NFBKMPQASA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-4-21(3-1)29-22-7-5-19(6-8-22)24-26-13-14-27(24)23-17-28-16-20(23)15-18-9-11-25-12-10-18/h5-14,20-21,23H,1-4,15-17H2/t20-,23-/m1/s1.
What are the key properties of 4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine?
4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine has a molecular weight of 389.50 g/mol, XLogP of 4.70, 6 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-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine is sourced from PubChem (CID 166618531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).