2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol

C13H24ClN3O2 — CID 107095406

IUPAC2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol
SMILESCCCCc1nc(Cl)c(CNCCCOCCO)[nH]1
InChIInChI=1S/C13H24ClN3O2/c1-2-3-5-12-16-11(13(14)17-12)10-15-6-4-8-19-9-7-18/h15,18H,2-10H2,1H3,(H,16,17)
InChIKeyUUFGNAPQRGOTBG-UHFFFAOYSA-N
MW289.81 g/mol
LogP1.89
Rot. Bonds11

About 2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol

2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol (PubChem CID 107095406) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol
PubChem CID107095406
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol
SMILESCCCCc1nc(Cl)c(CNCCCOCCO)[nH]1
InChIInChI=1S/C13H24ClN3O2/c1-2-3-5-12-16-11(13(14)17-12)10-15-6-4-8-19-9-7-18/h15,18H,2-10H2,1H3,(H,16,17)
InChIKeyUUFGNAPQRGOTBG-UHFFFAOYSA-N
XLogP1.89
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol
CID 107095280
2-[1-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756106
3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 115674392
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719572
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79756670
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107272296
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210296
2-[3-[(4-butoxyphenyl)methylamino]propoxy]ethanol
CID 103992724
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pent-1-yn-3-amine
CID 106224939
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311585

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol (CID 107095406) is 2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol is CCCCc1nc(Cl)c(CNCCCOCCO)[nH]1.
What is the InChIKey of 2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol?
The InChIKey is UUFGNAPQRGOTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O2/c1-2-3-5-12-16-11(13(14)17-12)10-15-6-4-8-19-9-7-18/h15,18H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol?
2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol has a molecular weight of 289.81 g/mol, XLogP of 1.89, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol is sourced from PubChem (CID 107095406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).