5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole

C23H26N2O3 — CID 95138059

IUPAC5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole
SMILESCOc1ccc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCCO2)cc1OC
InChIInChI=1S/C23H26N2O3/c1-26-20-12-11-18(14-21(20)27-2)23-22(17-8-4-3-5-9-17)24-16-25(23)15-19-10-6-7-13-28-19/h3-5,8-9,11-12,14,16,19H,6-7,10,13,15H2,1-2H3/t19-/m0/s1
InChIKeyNMGFYQIQIYMUDC-IBGZPJMESA-N
MW378.47 g/mol
LogP4.80
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole

5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole (PubChem CID 95138059) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole
PubChem CID95138059
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole
SMILESCOc1ccc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCCO2)cc1OC
InChIInChI=1S/C23H26N2O3/c1-26-20-12-11-18(14-21(20)27-2)23-22(17-8-4-3-5-9-17)24-16-25(23)15-19-10-6-7-13-28-19/h3-5,8-9,11-12,14,16,19H,6-7,10,13,15H2,1-2H3/t19-/m0/s1
InChIKeyNMGFYQIQIYMUDC-IBGZPJMESA-N
XLogP4.80
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile
CID 50983448
N-[4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]phenyl]acetamide
CID 95135000
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
2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine
CID 164857267
1-(oxolan-2-ylmethyl)-2,4,5-triphenylimidazole
CID 102110360
1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
CID 10186869
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 654707
2-methoxy-4-[3-[3-(3-methylpyrazol-1-yl)propyl]-5-phenylimidazol-4-yl]phenol
CID 50971531
6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 157297754
4-(4-butoxy-3-methoxyphenyl)-5-(oxolan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855917
[(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 39902956

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole (CID 95138059) is 5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole is COc1ccc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCCO2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole?
The InChIKey is NMGFYQIQIYMUDC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N2O3/c1-26-20-12-11-18(14-21(20)27-2)23-22(17-8-4-3-5-9-17)24-16-25(23)15-19-10-6-7-13-28-19/h3-5,8-9,11-12,14,16,19H,6-7,10,13,15H2,1-2H3/t19-/m0/s1.
What are the key properties of 5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole?
5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole has a molecular weight of 378.47 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole is sourced from PubChem (CID 95138059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).