1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol

C14H16ClN3O — CID 23064462

IUPAC1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)c(Cl)n1-c1ccccc1
InChIInChI=1S/C14H16ClN3O/c1-10-16-14(17-8-7-12(19)9-17)13(15)18(10)11-5-3-2-4-6-11/h2-6,12,19H,7-9H2,1H3
InChIKeyXZIWOLJWHMYKQO-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.41
Rot. Bonds2

About 1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol

1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol (PubChem CID 23064462) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol
PubChem CID23064462
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)c(Cl)n1-c1ccccc1
InChIInChI=1S/C14H16ClN3O/c1-10-16-14(17-8-7-12(19)9-17)13(15)18(10)11-5-3-2-4-6-11/h2-6,12,19H,7-9H2,1H3
InChIKeyXZIWOLJWHMYKQO-UHFFFAOYSA-N
XLogP2.41
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol (CID 23064462) is 1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol is Cc1nc(N2CCC(O)C2)c(Cl)n1-c1ccccc1.
What is the InChIKey of 1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol?
The InChIKey is XZIWOLJWHMYKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-16-14(17-8-7-12(19)9-17)13(15)18(10)11-5-3-2-4-6-11/h2-6,12,19H,7-9H2,1H3.
What are the key properties of 1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol?
1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol has a molecular weight of 277.75 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 23064462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).