1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol

C12H17ClN4O — CID 114239445

IUPAC1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ncc(Cl)n1C
InChIInChI=1S/C12H17ClN4O/c1-3-5-17-6-4-14-11(17)7-9(18)12-15-8-10(13)16(12)2/h4,6,8-9,18H,3,5,7H2,1-2H3
InChIKeyNRXRQSVWDJCFDR-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.96
Rot. Bonds5

About 1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol

1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 114239445) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID114239445
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ncc(Cl)n1C
InChIInChI=1S/C12H17ClN4O/c1-3-5-17-6-4-14-11(17)7-9(18)12-15-8-10(13)16(12)2/h4,6,8-9,18H,3,5,7H2,1-2H3
InChIKeyNRXRQSVWDJCFDR-UHFFFAOYSA-N
XLogP1.96
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol (CID 114239445) is 1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)c1ncc(Cl)n1C.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is NRXRQSVWDJCFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-3-5-17-6-4-14-11(17)7-9(18)12-15-8-10(13)16(12)2/h4,6,8-9,18H,3,5,7H2,1-2H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 268.75 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 114239445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).