1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole

C12H11ClN2S — CID 54123992

IUPAC1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole
SMILESClc1ccc2c(c1)SC(Cn1ccnc1)C2
InChIInChI=1S/C12H11ClN2S/c13-10-2-1-9-5-11(16-12(9)6-10)7-15-4-3-14-8-15/h1-4,6,8,11H,5,7H2
InChIKeyNPRPUCPGLQGZKV-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.25
Rot. Bonds2

About 1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole

1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole (PubChem CID 54123992) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole
PubChem CID54123992
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole
SMILESClc1ccc2c(c1)SC(Cn1ccnc1)C2
InChIInChI=1S/C12H11ClN2S/c13-10-2-1-9-5-11(16-12(9)6-10)7-15-4-3-14-8-15/h1-4,6,8,11H,5,7H2
InChIKeyNPRPUCPGLQGZKV-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]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)methyl]-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 18914346
1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
CID 2783908
1-[[(3aR,9aR)-6-chloro-2,3,9,9a-tetrahydro-1H-cyclopenta[b]chromen-3a-yl]methyl]imidazole
CID 18664325
(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-dimethylsilane
CID 13392416
bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane
CID 13392449
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
CID 70480605
1-[[2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 13208069
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-morpholin-4-ylpropan-2-ol
CID 13189528
4-[[(2R,3R)-6-chloro-2-(imidazol-1-ylmethyl)-2,3-dihydro-1-benzothiophen-3-yl]oxymethyl]-5-methyl-3-phenyl-1,2-oxazole
CID 10288135
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole
CID 19843308
6-fluoro-2-(imidazol-1-ylmethyl)-2,3-dihydro-1-benzothiophen-3-ol
CID 70351731

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole?
The IUPAC name of 1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole (CID 54123992) is 1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole is Clc1ccc2c(c1)SC(Cn1ccnc1)C2.
What is the InChIKey of 1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole?
The InChIKey is NPRPUCPGLQGZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c13-10-2-1-9-5-11(16-12(9)6-10)7-15-4-3-14-8-15/h1-4,6,8,11H,5,7H2.
What are the key properties of 1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole?
1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole has a molecular weight of 250.75 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole is sourced from PubChem (CID 54123992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).