1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol

C17H19N3O2 — CID 111969344

IUPAC1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
SMILESCc1ncc(CNCC(O)c2ccco2)n1-c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-13-19-11-15(20(13)14-6-3-2-4-7-14)10-18-12-16(21)17-8-5-9-22-17/h2-9,11,16,18,21H,10,12H2,1H3
InChIKeyPMDQYCDOUYQUCY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.60
Rot. Bonds6

About 1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol

1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol (PubChem CID 111969344) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
PubChem CID111969344
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
SMILESCc1ncc(CNCC(O)c2ccco2)n1-c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-13-19-11-15(20(13)14-6-3-2-4-7-14)10-18-12-16(21)17-8-5-9-22-17/h2-9,11,16,18,21H,10,12H2,1H3
InChIKeyPMDQYCDOUYQUCY-UHFFFAOYSA-N
XLogP2.60
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
CID 79177340
1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
CID 71982545
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]prop-2-en-1-amine
CID 79179946
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 79177785
1-(2-methyl-3-phenylimidazol-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392406
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol
CID 106372593
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 71982540
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide
CID 106233404
1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398102
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 61044455
1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine
CID 79180311
(3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide
CID 97002412

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol (CID 111969344) is 1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol is Cc1ncc(CNCC(O)c2ccco2)n1-c1ccccc1.
What is the InChIKey of 1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol?
The InChIKey is PMDQYCDOUYQUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-19-11-15(20(13)14-6-3-2-4-7-14)10-18-12-16(21)17-8-5-9-22-17/h2-9,11,16,18,21H,10,12H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol?
1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol has a molecular weight of 297.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 111969344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).