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

C19H20N2O2 — CID 57402760

IUPAC1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole
SMILESCOc1ccc(C[C@@H](c2ccc(OC)cc2)n2ccnc2)cc1
InChIInChI=1S/C19H20N2O2/c1-22-17-7-3-15(4-8-17)13-19(21-12-11-20-14-21)16-5-9-18(23-2)10-6-16/h3-12,14,19H,13H2,1-2H3/t19-/m0/s1
InChIKeyMKJGUKZXTVHQHM-IBGZPJMESA-N
MW308.38 g/mol
LogP3.73
Rot. Bonds6

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

1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole (PubChem CID 57402760) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole
PubChem CID57402760
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole
SMILESCOc1ccc(C[C@@H](c2ccc(OC)cc2)n2ccnc2)cc1
InChIInChI=1S/C19H20N2O2/c1-22-17-7-3-15(4-8-17)13-19(21-12-11-20-14-21)16-5-9-18(23-2)10-6-16/h3-12,14,19H,13H2,1-2H3/t19-/m0/s1
InChIKeyMKJGUKZXTVHQHM-IBGZPJMESA-N
XLogP3.73
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole
CID 95988616
1-[1-[4-(methoxymethyl)phenyl]butyl]imidazole
CID 14514379
1-[1-[5-(4-methoxyphenyl)furan-2-yl]propyl]imidazole
CID 71548090
1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole
CID 14514380
1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole
CID 14514381
quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate
CID 139543960
4-(2-imidazol-1-yl-2-phenylethyl)-2-methylaniline;propane
CID 143057158
1-[1-(4-methylphenyl)butyl]imidazole
CID 90765635
1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole
CID 54769240
N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
CID 118712540
4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide
CID 53348140
4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
CID 63016470

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole?
The IUPAC name of 1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole (CID 57402760) is 1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole.
What is the SMILES notation for 1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole?
The canonical SMILES for 1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole is COc1ccc(C[C@@H](c2ccc(OC)cc2)n2ccnc2)cc1.
What is the InChIKey of 1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole?
The InChIKey is MKJGUKZXTVHQHM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N2O2/c1-22-17-7-3-15(4-8-17)13-19(21-12-11-20-14-21)16-5-9-18(23-2)10-6-16/h3-12,14,19H,13H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole?
1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole has a molecular weight of 308.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole is sourced from PubChem (CID 57402760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).