1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol

C10H16ClN3O2 — CID 23064555

IUPAC1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)c(Cl)n1CCO
InChIInChI=1S/C10H16ClN3O2/c1-7-12-10(9(11)14(7)4-5-15)13-3-2-8(16)6-13/h8,15-16H,2-6H2,1H3
InChIKeyMWHKSNZQBTUBON-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.41
Rot. Bonds3

About 1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol

1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol (PubChem CID 23064555) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol
PubChem CID23064555
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)c(Cl)n1CCO
InChIInChI=1S/C10H16ClN3O2/c1-7-12-10(9(11)14(7)4-5-15)13-3-2-8(16)6-13/h8,15-16H,2-6H2,1H3
InChIKeyMWHKSNZQBTUBON-UHFFFAOYSA-N
XLogP0.41
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Chloro-1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol
CID 23064424
2-[5-Chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol
CID 23064430
2-(5-Chloro-2-methyl-4-piperidin-1-ylimidazol-1-yl)ethanol
CID 23064434
1-[5-Chloro-1-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol
CID 23064449
1-[1-(2-Hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol
CID 23064455
1-(5-Chloro-1-methylimidazol-4-yl)pyrrolidin-3-ol
CID 23064517
2-(5-Chloro-4-pyrrolidin-1-ylimidazol-1-yl)ethanol
CID 23064546
2-(5-Chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol
CID 23064550
1-(5-chloro-2-methyl-1H-imidazol-4-yl)pyrrolidin-3-ol
CID 23064556
1-(1-(2-Hydroxyethyl)-2-methyl-1H-imidazol-5-yl)pyrrolidin-3-ol
CID 45097260
2-(4-Chloro-5-pyrrolidin-1-ylimidazol-1-yl)ethanol
CID 69418295
1-[5-Chloro-3-(2-hydroxyethyl)imidazol-4-yl]pyrrolidin-3-ol
CID 69419432

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol (CID 23064555) is 1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol is Cc1nc(N2CCC(O)C2)c(Cl)n1CCO.
What is the InChIKey of 1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol?
The InChIKey is MWHKSNZQBTUBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-7-12-10(9(11)14(7)4-5-15)13-3-2-8(16)6-13/h8,15-16H,2-6H2,1H3.
What are the key properties of 1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol?
1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol has a molecular weight of 245.71 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 23064555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).