1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol

C10H17ClN2O3 — CID 170819186

IUPAC1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol
SMILESCCCCc1nc(Cl)c(C(O)C(O)CO)[nH]1
InChIInChI=1S/C10H17ClN2O3/c1-2-3-4-7-12-8(10(11)13-7)9(16)6(15)5-14/h6,9,14-16H,2-5H2,1H3,(H,12,13)
InChIKeyTUVHFFUGNHUUEL-UHFFFAOYSA-N
MW248.71 g/mol
LogP0.79
Rot. Bonds6

About 1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol

1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol (PubChem CID 170819186) has the molecular formula C10H17ClN2O3 and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol
PubChem CID170819186
Molecular FormulaC10H17ClN2O3
Molecular Weight248.71 g/mol
Exact Mass248.09
IUPAC Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol
SMILESCCCCc1nc(Cl)c(C(O)C(O)CO)[nH]1
InChIInChI=1S/C10H17ClN2O3/c1-2-3-4-7-12-8(10(11)13-7)9(16)6(15)5-14/h6,9,14-16H,2-5H2,1H3,(H,12,13)
InChIKeyTUVHFFUGNHUUEL-UHFFFAOYSA-N
XLogP0.79
TPSA89.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2-diol
CID 171861344
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
(2-butyl-4-chloro-1H-imidazol-5-yl)phosphonic acid
CID 19764492
5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol
CID 107095280
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol
CID 66704125
methyl 3-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 170816576
4-chloro-5-methyl-2-tetradecyl-1H-imidazole
CID 163997972
2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid
CID 70576854
2-[1-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756106
2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol
CID 107095406
1-[(2R,3R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2,3-dimethylpiperazin-1-yl]ethanone
CID 169419364
(2S,4R)-4-amino-1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 56708773

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol?
The IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol (CID 170819186) is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol is CCCCc1nc(Cl)c(C(O)C(O)CO)[nH]1.
What is the InChIKey of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol?
The InChIKey is TUVHFFUGNHUUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O3/c1-2-3-4-7-12-8(10(11)13-7)9(16)6(15)5-14/h6,9,14-16H,2-5H2,1H3,(H,12,13).
What are the key properties of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol?
1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol has a molecular weight of 248.71 g/mol, XLogP of 0.79, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)propane-1,2,3-triol is sourced from PubChem (CID 170819186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).