1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole

C21H24N2O3 — CID 95988616

IUPAC1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole
SMILESCOc1ccc(C[C@@H](O[C@H](C)n2ccnc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-16(23-13-12-22-15-23)26-21(18-6-10-20(25-3)11-7-18)14-17-4-8-19(24-2)9-5-17/h4-13,15-16,21H,14H2,1-3H3/t16-,21-/m1/s1
InChIKeySKEBOVVDDCBGMZ-IIBYNOLFSA-N
MW352.43 g/mol
LogP4.42
Rot. Bonds8

About 1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole

1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole (PubChem CID 95988616) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole
PubChem CID95988616
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole
SMILESCOc1ccc(C[C@@H](O[C@H](C)n2ccnc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-16(23-13-12-22-15-23)26-21(18-6-10-20(25-3)11-7-18)14-17-4-8-19(24-2)9-5-17/h4-13,15-16,21H,14H2,1-3H3/t16-,21-/m1/s1
InChIKeySKEBOVVDDCBGMZ-IIBYNOLFSA-N
XLogP4.42
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole
CID 57402760
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole
CID 54769240
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976
1-[4-[(4-methoxyphenyl)methoxy]-3-octoxybutan-2-yl]imidazole
CID 54324476
4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide
CID 53348140
1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 141467393
4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
CID 63016470
1-[1-[4-(methoxymethyl)phenyl]butyl]imidazole
CID 14514379
2-[1-(4-methoxyphenyl)-2-phenylethoxy]pyridine
CID 175878061
1-[2,2-bis[(4-methoxyphenyl)methylsulfanyl]ethyl]imidazole
CID 13320333
4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46776651

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole?
The IUPAC name of 1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole (CID 95988616) is 1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole.
What is the SMILES notation for 1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole?
The canonical SMILES for 1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole is COc1ccc(C[C@@H](O[C@H](C)n2ccnc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole?
The InChIKey is SKEBOVVDDCBGMZ-IIBYNOLFSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16(23-13-12-22-15-23)26-21(18-6-10-20(25-3)11-7-18)14-17-4-8-19(24-2)9-5-17/h4-13,15-16,21H,14H2,1-3H3/t16-,21-/m1/s1.
What are the key properties of 1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole?
1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole has a molecular weight of 352.43 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole is sourced from PubChem (CID 95988616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).