2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol

C19H22N2O3 — CID 82149347

IUPAC2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
SMILESCOc1cccc(OCc2nc3cc(C)c(C)cc3n2CCO)c1
InChIInChI=1S/C19H22N2O3/c1-13-9-17-18(10-14(13)2)21(7-8-22)19(20-17)12-24-16-6-4-5-15(11-16)23-3/h4-6,9-11,22H,7-8,12H2,1-3H3
InChIKeyNSZXWFFBEKTHHX-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.23
Rot. Bonds6

About 2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol

2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol (PubChem CID 82149347) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
PubChem CID82149347
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
SMILESCOc1cccc(OCc2nc3cc(C)c(C)cc3n2CCO)c1
InChIInChI=1S/C19H22N2O3/c1-13-9-17-18(10-14(13)2)21(7-8-22)19(20-17)12-24-16-6-4-5-15(11-16)23-3/h4-6,9-11,22H,7-8,12H2,1-3H3
InChIKeyNSZXWFFBEKTHHX-UHFFFAOYSA-N
XLogP3.23
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 94755704
3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 21188655
2-[2-[(3-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 86297263
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16998028
2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145306
2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242415
1-(3-bromopropyl)-2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazole
CID 21188832
2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline
CID 82150383

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol (CID 82149347) is 2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol is COc1cccc(OCc2nc3cc(C)c(C)cc3n2CCO)c1.
What is the InChIKey of 2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol?
The InChIKey is NSZXWFFBEKTHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-9-17-18(10-14(13)2)21(7-8-22)19(20-17)12-24-16-6-4-5-15(11-16)23-3/h4-6,9-11,22H,7-8,12H2,1-3H3.
What are the key properties of 2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol?
2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol has a molecular weight of 326.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol is sourced from PubChem (CID 82149347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).