2-chloro-1,3-diethyl-2H-benzimidazole

C11H15ClN2 — CID 69082202

IUPAC2-chloro-1,3-diethyl-2H-benzimidazole
SMILESCCN1c2ccccc2N(CC)C1Cl
InChIInChI=1S/C11H15ClN2/c1-3-13-9-7-5-6-8-10(9)14(4-2)11(13)12/h5-8,11H,3-4H2,1-2H3
InChIKeyALJINYWDODZKSZ-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.88
Rot. Bonds2

About 2-chloro-1,3-diethyl-2H-benzimidazole

2-chloro-1,3-diethyl-2H-benzimidazole (PubChem CID 69082202) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-chloro-1,3-diethyl-2H-benzimidazole.

Molecular Properties

Compound Name2-chloro-1,3-diethyl-2H-benzimidazole
PubChem CID69082202
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-chloro-1,3-diethyl-2H-benzimidazole
SMILESCCN1c2ccccc2N(CC)C1Cl
InChIInChI=1S/C11H15ClN2/c1-3-13-9-7-5-6-8-10(9)14(4-2)11(13)12/h5-8,11H,3-4H2,1-2H3
InChIKeyALJINYWDODZKSZ-UHFFFAOYSA-N
XLogP2.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-diethyl-2H-benzimidazole?
The IUPAC name of 2-chloro-1,3-diethyl-2H-benzimidazole (CID 69082202) is 2-chloro-1,3-diethyl-2H-benzimidazole.
What is the SMILES notation for 2-chloro-1,3-diethyl-2H-benzimidazole?
The canonical SMILES for 2-chloro-1,3-diethyl-2H-benzimidazole is CCN1c2ccccc2N(CC)C1Cl.
What is the InChIKey of 2-chloro-1,3-diethyl-2H-benzimidazole?
The InChIKey is ALJINYWDODZKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-3-13-9-7-5-6-8-10(9)14(4-2)11(13)12/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 2-chloro-1,3-diethyl-2H-benzimidazole?
2-chloro-1,3-diethyl-2H-benzimidazole has a molecular weight of 210.71 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-diethyl-2H-benzimidazole is sourced from PubChem (CID 69082202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).