1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole

C19H16Cl2N2OS — CID 10524482

IUPAC1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole
SMILESClc1ccc(COC2c3c(Cl)cccc3SC2Cn2ccnc2)cc1
InChIInChI=1S/C19H16Cl2N2OS/c20-14-6-4-13(5-7-14)11-24-19-17(10-23-9-8-22-12-23)25-16-3-1-2-15(21)18(16)19/h1-9,12,17,19H,10-11H2
InChIKeyZLFCVNJWYMBCPC-UHFFFAOYSA-N
MW391.32 g/mol
LogP5.62
Rot. Bonds5

About 1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole

1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole (PubChem CID 10524482) has the molecular formula C19H16Cl2N2OS and a molecular weight of 391.32 g/mol. Its IUPAC name is 1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole
PubChem CID10524482
Molecular FormulaC19H16Cl2N2OS
Molecular Weight391.32 g/mol
Exact Mass390.04
IUPAC Name1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole
SMILESClc1ccc(COC2c3c(Cl)cccc3SC2Cn2ccnc2)cc1
InChIInChI=1S/C19H16Cl2N2OS/c20-14-6-4-13(5-7-14)11-24-19-17(10-23-9-8-22-12-23)25-16-3-1-2-15(21)18(16)19/h1-9,12,17,19H,10-11H2
InChIKeyZLFCVNJWYMBCPC-UHFFFAOYSA-N
XLogP5.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole?
The IUPAC name of 1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole (CID 10524482) is 1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole is Clc1ccc(COC2c3c(Cl)cccc3SC2Cn2ccnc2)cc1.
What is the InChIKey of 1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole?
The InChIKey is ZLFCVNJWYMBCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2OS/c20-14-6-4-13(5-7-14)11-24-19-17(10-23-9-8-22-12-23)25-16-3-1-2-15(21)18(16)19/h1-9,12,17,19H,10-11H2.
What are the key properties of 1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole?
1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole has a molecular weight of 391.32 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole is sourced from PubChem (CID 10524482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).