2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C13H13ClN2S — CID 870163

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESClc1ccccc1CSc1cn2c(n1)CCC2
InChIInChI=1S/C13H13ClN2S/c14-11-5-2-1-4-10(11)9-17-13-8-16-7-3-6-12(16)15-13/h1-2,4-5,8H,3,6-7,9H2
InChIKeyKKUQCSKFYZAODQ-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.78
Rot. Bonds3

About 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 870163) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID870163
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESClc1ccccc1CSc1cn2c(n1)CCC2
InChIInChI=1S/C13H13ClN2S/c14-11-5-2-1-4-10(11)9-17-13-8-16-7-3-6-12(16)15-13/h1-2,4-5,8H,3,6-7,9H2
InChIKeyKKUQCSKFYZAODQ-UHFFFAOYSA-N
XLogP3.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]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

2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 759935
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 788156
6-(2-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574935
2-[(2,4-Dichlorophenyl)methylthio]-1-methylimidazole
CID 16280550
1-[(4-Chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole
CID 2822144
2-[(4-Chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpyrazine
CID 172433465
6-[(4-Chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole
CID 4052061
2-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole
CID 4550698
1-((2-(4-chlorophenethyl)-1,3-dithiolan-2-yl)methyl)-1H-imidazole hydrochloride
CID 11609518
(2E)-2-[2-(2-chlorophenyl)-1,3-dithiolan-4-ylidene]-2-imidazol-1-ylacetonitrile
CID 135082479
2-[(2-Chloro-4-fluorophenyl)methylthio]-1-methylimidazole
CID 5049562
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methylimidazole
CID 19727758

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 870163) is 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Clc1ccccc1CSc1cn2c(n1)CCC2.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is KKUQCSKFYZAODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c14-11-5-2-1-4-10(11)9-17-13-8-16-7-3-6-12(16)15-13/h1-2,4-5,8H,3,6-7,9H2.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 264.78 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 870163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).