1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol

C7H10ClN3O — CID 23064506

IUPAC1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2nc[nH]c2Cl)C1
InChIInChI=1S/C7H10ClN3O/c8-6-7(10-4-9-6)11-2-1-5(12)3-11/h4-5,12H,1-3H2,(H,9,10)
InChIKeyNGFJSUFTPCZPSY-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.63
Rot. Bonds1

About 1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol

1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol (PubChem CID 23064506) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol
PubChem CID23064506
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2nc[nH]c2Cl)C1
InChIInChI=1S/C7H10ClN3O/c8-6-7(10-4-9-6)11-2-1-5(12)3-11/h4-5,12H,1-3H2,(H,9,10)
InChIKeyNGFJSUFTPCZPSY-UHFFFAOYSA-N
XLogP0.63
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900947
4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957758
1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
CID 103580205
(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
CID 71649300
(3R)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416138
(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416146
2-[(3S)-3-hydroxypyrrolidin-1-yl]pyridin-3-ol
CID 71649435
5-chloro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979644
1-(5-chloro-3-methylimidazol-4-yl)pyrrolidin-3-ol
CID 69420944
4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136978257
1-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-ol
CID 170577660

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol (CID 23064506) is 1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol is OC1CCN(c2nc[nH]c2Cl)C1.
What is the InChIKey of 1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol?
The InChIKey is NGFJSUFTPCZPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c8-6-7(10-4-9-6)11-2-1-5(12)3-11/h4-5,12H,1-3H2,(H,9,10).
What are the key properties of 1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol?
1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol has a molecular weight of 187.63 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 23064506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).