5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole

C13H10Cl2N2S — CID 11846692

IUPAC5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole
SMILESClc1cc2nc(CCc3cccs3)[nH]c2cc1Cl
InChIInChI=1S/C13H10Cl2N2S/c14-9-6-11-12(7-10(9)15)17-13(16-11)4-3-8-2-1-5-18-8/h1-2,5-7H,3-4H2,(H,16,17)
InChIKeyUXRYQIAXRHOIKR-UHFFFAOYSA-N
MW297.21 g/mol
LogP4.72
Rot. Bonds3

About 5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole

5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole (PubChem CID 11846692) has the molecular formula C13H10Cl2N2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole
PubChem CID11846692
Molecular FormulaC13H10Cl2N2S
Molecular Weight297.21 g/mol
Exact Mass295.99
IUPAC Name5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole
SMILESClc1cc2nc(CCc3cccs3)[nH]c2cc1Cl
InChIInChI=1S/C13H10Cl2N2S/c14-9-6-11-12(7-10(9)15)17-13(16-11)4-3-8-2-1-5-18-8/h1-2,5-7H,3-4H2,(H,16,17)
InChIKeyUXRYQIAXRHOIKR-UHFFFAOYSA-N
XLogP4.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
CID 60978921
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
CID 82004888
2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol
CID 81432482
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463
5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole
CID 82005586
2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 39158392
5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 39158334
6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 60978374
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline
CID 82005404
4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid
CID 82001975
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 66526955

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole (CID 11846692) is 5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole is Clc1cc2nc(CCc3cccs3)[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole?
The InChIKey is UXRYQIAXRHOIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2S/c14-9-6-11-12(7-10(9)15)17-13(16-11)4-3-8-2-1-5-18-8/h1-2,5-7H,3-4H2,(H,16,17).
What are the key properties of 5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole?
5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole has a molecular weight of 297.21 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole is sourced from PubChem (CID 11846692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).