2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol

C10H15Cl2N3O — CID 115883240

IUPAC2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1c(Cl)nc(Cl)n1C
InChIInChI=1S/C10H15Cl2N3O/c1-3-4-15(5-6-16)7-8-9(11)13-10(12)14(8)2/h3,16H,1,4-7H2,2H3
InChIKeyADYAJFYTLOHVSP-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.71
Rot. Bonds6

About 2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol

2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol (PubChem CID 115883240) has the molecular formula C10H15Cl2N3O and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol
PubChem CID115883240
Molecular FormulaC10H15Cl2N3O
Molecular Weight264.16 g/mol
Exact Mass263.06
IUPAC Name2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1c(Cl)nc(Cl)n1C
InChIInChI=1S/C10H15Cl2N3O/c1-3-4-15(5-6-16)7-8-9(11)13-10(12)14(8)2/h3,16H,1,4-7H2,2H3
InChIKeyADYAJFYTLOHVSP-UHFFFAOYSA-N
XLogP1.71
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol
CID 107052585
2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
CID 115647773
2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl-prop-2-enylamino]ethanol
CID 111423231
2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol
CID 115883207
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
CID 115633493
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol
CID 115631668
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115631792
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol
CID 115631711
2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115631698

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol (CID 115883240) is 2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1c(Cl)nc(Cl)n1C.
What is the InChIKey of 2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol?
The InChIKey is ADYAJFYTLOHVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3O/c1-3-4-15(5-6-16)7-8-9(11)13-10(12)14(8)2/h3,16H,1,4-7H2,2H3.
What are the key properties of 2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol?
2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol has a molecular weight of 264.16 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 115883240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).