2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole

C14H11ClN2S — CID 91127273

IUPAC2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole
SMILESClc1ccc(Cc2ncc[nH]2)c(-c2cccs2)c1
InChIInChI=1S/C14H11ClN2S/c15-11-4-3-10(8-14-16-5-6-17-14)12(9-11)13-2-1-7-18-13/h1-7,9H,8H2,(H,16,17)
InChIKeyTYBIQYKLAQDZEC-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.38
Rot. Bonds3

About 2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole

2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole (PubChem CID 91127273) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole
PubChem CID91127273
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole
SMILESClc1ccc(Cc2ncc[nH]2)c(-c2cccs2)c1
InChIInChI=1S/C14H11ClN2S/c15-11-4-3-10(8-14-16-5-6-17-14)12(9-11)13-2-1-7-18-13/h1-7,9H,8H2,(H,16,17)
InChIKeyTYBIQYKLAQDZEC-UHFFFAOYSA-N
XLogP4.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole
CID 90751232
2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene
CID 151082316
N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
CID 64546806
2-[[2-[(3-chlorophenyl)methylsulfanyl]phenyl]methyl]-1H-imidazole
CID 70637613
2-(1H-imidazol-2-yl)-1-thiophen-2-ylethanol
CID 22324780
5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one
CID 20523140
[4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol
CID 137421749
2-(2,5-dichlorophenyl)-1H-imidazole
CID 67618991
CID 163579516
CID 163579516
(1S)-N-[(5-chloro-2-methylphenyl)methyl]-1-(1H-imidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 99843227
2-(5-phenoxy-2-thiophen-2-ylphenyl)-1H-imidazole
CID 91423614
N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 6390210

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole?
The IUPAC name of 2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole (CID 91127273) is 2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole is Clc1ccc(Cc2ncc[nH]2)c(-c2cccs2)c1.
What is the InChIKey of 2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole?
The InChIKey is TYBIQYKLAQDZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-11-4-3-10(8-14-16-5-6-17-14)12(9-11)13-2-1-7-18-13/h1-7,9H,8H2,(H,16,17).
What are the key properties of 2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole?
2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole has a molecular weight of 274.78 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 91127273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).