2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole

C10H11ClN2 — CID 82007491

IUPAC2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(CCl)[nH]c2c1
InChIInChI=1S/C10H11ClN2/c1-6-3-7(2)10-8(4-6)12-9(5-11)13-10/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyUCUDJNIQAIQTIW-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.92
Rot. Bonds1

About 2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole

2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 82007491) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID82007491
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(CCl)[nH]c2c1
InChIInChI=1S/C10H11ClN2/c1-6-3-7(2)10-8(4-6)12-9(5-11)13-10/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyUCUDJNIQAIQTIW-UHFFFAOYSA-N
XLogP2.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole (CID 82007491) is 2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(CCl)[nH]c2c1.
What is the InChIKey of 2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is UCUDJNIQAIQTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-6-3-7(2)10-8(4-6)12-9(5-11)13-10/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole?
2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 194.66 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82007491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).