1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole

C14H15N3O2 — CID 104941461

IUPAC1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESc1cc2c(cc1-n1cncc1[C@@H]1CCCN1)OCO2
InChIInChI=1S/C14H15N3O2/c1-2-11(16-5-1)12-7-15-8-17(12)10-3-4-13-14(6-10)19-9-18-13/h3-4,6-8,11,16H,1-2,5,9H2/t11-/m0/s1
InChIKeyQWEORBOPDCZOIJ-NSHDSACASA-N
MW257.29 g/mol
LogP2.03
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole

1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104941461) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104941461
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESc1cc2c(cc1-n1cncc1[C@@H]1CCCN1)OCO2
InChIInChI=1S/C14H15N3O2/c1-2-11(16-5-1)12-7-15-8-17(12)10-3-4-13-14(6-10)19-9-18-13/h3-4,6-8,11,16H,1-2,5,9H2/t11-/m0/s1
InChIKeyQWEORBOPDCZOIJ-NSHDSACASA-N
XLogP2.03
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
CID 114707633
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile
CID 107795800
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701
1-(4-methylsulfanylphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941741
[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol
CID 104943673
2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
CID 114706296
5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 114703043
1-(3-methylsulfanylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702733
1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702494

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104941461) is 1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole is c1cc2c(cc1-n1cncc1[C@@H]1CCCN1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is QWEORBOPDCZOIJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-11(16-5-1)12-7-15-8-17(12)10-3-4-13-14(6-10)19-9-18-13/h3-4,6-8,11,16H,1-2,5,9H2/t11-/m0/s1.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 257.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104941461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).