1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one

C18H25N3O3 — CID 75387548

IUPAC1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCCCCC1CC(O)c1ccco1
InChIInChI=1S/C18H25N3O3/c22-16(17-6-4-12-24-17)13-15-5-2-1-3-9-21(15)18(23)7-10-20-11-8-19-14-20/h4,6,8,11-12,14-16,22H,1-3,5,7,9-10,13H2
InChIKeyUECFZIOIWHRLGT-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.76
Rot. Bonds6

About 1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one

1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 75387548) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID75387548
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCCCCC1CC(O)c1ccco1
InChIInChI=1S/C18H25N3O3/c22-16(17-6-4-12-24-17)13-15-5-2-1-3-9-21(15)18(23)7-10-20-11-8-19-14-20/h4,6,8,11-12,14-16,22H,1-3,5,7,9-10,13H2
InChIKeyUECFZIOIWHRLGT-UHFFFAOYSA-N
XLogP2.76
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one with MolForge

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Related Compounds

1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 97240246
[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 97240212
(5-chloropyrimidin-4-yl)-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97326179
(1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol
CID 97078670
(5R)-5-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240251
(5R)-5-[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240250
(5-chlorofuran-2-yl)-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97240265
(5-chlorofuran-2-yl)-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 75387563
(5R)-5-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240252
[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 125131336
(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718766
(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718768

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one (CID 75387548) is 1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)N1CCCCCC1CC(O)c1ccco1.
What is the InChIKey of 1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is UECFZIOIWHRLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-16(17-6-4-12-24-17)13-15-5-2-1-3-9-21(15)18(23)7-10-20-11-8-19-14-20/h4,6,8,11-12,14-16,22H,1-3,5,7,9-10,13H2.
What are the key properties of 1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one?
1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 331.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 75387548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).