1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol

C23H22N2O3 — CID 24768673

IUPAC1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
SMILESCOc1cccc(-c2cccc(-n3cnc4cc(C(C)O)ccc43)c2)c1OC
InChIInChI=1S/C23H22N2O3/c1-15(26)16-10-11-21-20(13-16)24-14-25(21)18-7-4-6-17(12-18)19-8-5-9-22(27-2)23(19)28-3/h4-15,26H,1-3H3
InChIKeyDXZIHPLHYAPPBT-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.76
Rot. Bonds5

About 1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol

1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol (PubChem CID 24768673) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
PubChem CID24768673
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
SMILESCOc1cccc(-c2cccc(-n3cnc4cc(C(C)O)ccc43)c2)c1OC
InChIInChI=1S/C23H22N2O3/c1-15(26)16-10-11-21-20(13-16)24-14-25(21)18-7-4-6-17(12-18)19-8-5-9-22(27-2)23(19)28-3/h4-15,26H,1-3H3
InChIKeyDXZIHPLHYAPPBT-UHFFFAOYSA-N
XLogP4.76
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152123
(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096152
(1S)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine;(1S)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 157206160
(1R)-1-[1-[3-(3-chloro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095940
N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide
CID 67096012
(1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 69077985
1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 16661482
(1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152171
(1S)-1-[1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096101
1-[1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 16659568
[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate
CID 69023101
(1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol
CID 67152234

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol?
The IUPAC name of 1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol (CID 24768673) is 1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol?
The canonical SMILES for 1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol is COc1cccc(-c2cccc(-n3cnc4cc(C(C)O)ccc43)c2)c1OC.
What is the InChIKey of 1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol?
The InChIKey is DXZIHPLHYAPPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-15(26)16-10-11-21-20(13-16)24-14-25(21)18-7-4-6-17(12-18)19-8-5-9-22(27-2)23(19)28-3/h4-15,26H,1-3H3.
What are the key properties of 1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol?
1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol has a molecular weight of 374.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol is sourced from PubChem (CID 24768673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).