1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol

C19H20N2O2 — CID 18769089

IUPAC1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)(c1ccc2cc3c(cc2c1)CCO3)c1cnc[nH]1
InChIInChI=1S/C19H20N2O2/c1-12(2)19(22,18-10-20-11-21-18)16-4-3-13-9-17-14(5-6-23-17)7-15(13)8-16/h3-4,7-12,22H,5-6H2,1-2H3,(H,20,21)
InChIKeyRGAAMTLREDEQQG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.39
Rot. Bonds3

About 1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol

1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol (PubChem CID 18769089) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol
PubChem CID18769089
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)(c1ccc2cc3c(cc2c1)CCO3)c1cnc[nH]1
InChIInChI=1S/C19H20N2O2/c1-12(2)19(22,18-10-20-11-21-18)16-4-3-13-9-17-14(5-6-23-17)7-15(13)8-16/h3-4,7-12,22H,5-6H2,1-2H3,(H,20,21)
InChIKeyRGAAMTLREDEQQG-UHFFFAOYSA-N
XLogP3.39
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol with MolForge

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Related Compounds

N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide
CID 22737877
1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol
CID 70197982
1-(6-ethoxynaphthalen-2-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol;1-(6-ethoxynaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 157221033
ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate
CID 18769105
1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol
CID 121305500
1-amino-2-(2,3-dihydro-1-benzofuran-6-yl)propan-2-ol
CID 82401989
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
CID 66471641
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581242
2-(2,3-dihydro-1-benzofuran-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 71754796
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551
2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 154742446
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol (CID 18769089) is 1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol is CC(C)C(O)(c1ccc2cc3c(cc2c1)CCO3)c1cnc[nH]1.
What is the InChIKey of 1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol?
The InChIKey is RGAAMTLREDEQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12(2)19(22,18-10-20-11-21-18)16-4-3-13-9-17-14(5-6-23-17)7-15(13)8-16/h3-4,7-12,22H,5-6H2,1-2H3,(H,20,21).
What are the key properties of 1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol?
1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol has a molecular weight of 308.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrobenzo[f][1]benzofuran-6-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 18769089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).