2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol

C18H18N2O4 — CID 82149438

IUPAC2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol
SMILESCOc1ccc(-c2nc3cc4c(cc3n2CCO)OCCO4)cc1
InChIInChI=1S/C18H18N2O4/c1-22-13-4-2-12(3-5-13)18-19-14-10-16-17(24-9-8-23-16)11-15(14)20(18)6-7-21/h2-5,10-11,21H,6-9H2,1H3
InChIKeyIAOSUSKXNAYEJL-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.48
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol

2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol (PubChem CID 82149438) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol
PubChem CID82149438
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol
SMILESCOc1ccc(-c2nc3cc4c(cc3n2CCO)OCCO4)cc1
InChIInChI=1S/C18H18N2O4/c1-22-13-4-2-12(3-5-13)18-19-14-10-16-17(24-9-8-23-16)11-15(14)20(18)6-7-21/h2-5,10-11,21H,6-9H2,1H3
InChIKeyIAOSUSKXNAYEJL-UHFFFAOYSA-N
XLogP2.48
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
CID 50959699
2-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanol
CID 82149428
2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol
CID 82149388
3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149606
2-(2-phenyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetic acid
CID 94748982
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033050
3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 82149581
3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol
CID 82149624
3-[2-(4-methylphenoxy)ethyl]-2-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazole
CID 53048973
2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145913
2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]ethanol
CID 10638406
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol?
The IUPAC name of 2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol (CID 82149438) is 2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol is COc1ccc(-c2nc3cc4c(cc3n2CCO)OCCO4)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol?
The InChIKey is IAOSUSKXNAYEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-22-13-4-2-12(3-5-13)18-19-14-10-16-17(24-9-8-23-16)11-15(14)20(18)6-7-21/h2-5,10-11,21H,6-9H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol?
2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol has a molecular weight of 326.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol is sourced from PubChem (CID 82149438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).