7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole

C13H10Cl2N2S — CID 43661018

IUPAC7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole
SMILESClCc1nc2cccc(Cl)c2n1Cc1cccs1
InChIInChI=1S/C13H10Cl2N2S/c14-7-12-16-11-5-1-4-10(15)13(11)17(12)8-9-3-2-6-18-9/h1-6H,7-8H2
InChIKeyFFIRHQIWRHMPPK-UHFFFAOYSA-N
MW297.21 g/mol
LogP4.54
Rot. Bonds3

About 7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole

7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole (PubChem CID 43661018) has the molecular formula C13H10Cl2N2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole
PubChem CID43661018
Molecular FormulaC13H10Cl2N2S
Molecular Weight297.21 g/mol
Exact Mass295.99
IUPAC Name7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole
SMILESClCc1nc2cccc(Cl)c2n1Cc1cccs1
InChIInChI=1S/C13H10Cl2N2S/c14-7-12-16-11-5-1-4-10(15)13(11)17(12)8-9-3-2-6-18-9/h1-6H,7-8H2
InChIKeyFFIRHQIWRHMPPK-UHFFFAOYSA-N
XLogP4.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole
CID 115552755
4-[[7-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 79238246
4-[2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]thiomorpholine
CID 106326545
2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933
7-chloro-2-(chloromethyl)-1-(3-methylbutyl)benzimidazole
CID 43659958
2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79301361
7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
CID 79234541
4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 104837421
7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 43666587
2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 113334051
5-(chloromethyl)-1,3-dimethyl-6-(thiophen-2-ylmethyl)imidazo[4,5-d]pyrazole
CID 79297314
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 104836904

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole?
The IUPAC name of 7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole (CID 43661018) is 7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole is ClCc1nc2cccc(Cl)c2n1Cc1cccs1.
What is the InChIKey of 7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole?
The InChIKey is FFIRHQIWRHMPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2S/c14-7-12-16-11-5-1-4-10(15)13(11)17(12)8-9-3-2-6-18-9/h1-6H,7-8H2.
What are the key properties of 7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole?
7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole has a molecular weight of 297.21 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole is sourced from PubChem (CID 43661018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).