2-chloro-2H-benzimidazole

C7H5ClN2 — CID 19783285

IUPAC2-chloro-2H-benzimidazole
SMILESClC1N=c2ccccc2=N1
InChIInChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H
InChIKeyAFNNTGRKYRSLGG-UHFFFAOYSA-N
MW152.58 g/mol
LogP0.46
Rot. Bonds

About 2-chloro-2H-benzimidazole

2-chloro-2H-benzimidazole (PubChem CID 19783285) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 2-chloro-2H-benzimidazole.

Molecular Properties

Compound Name2-chloro-2H-benzimidazole
PubChem CID19783285
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name2-chloro-2H-benzimidazole
SMILESClC1N=c2ccccc2=N1
InChIInChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H
InChIKeyAFNNTGRKYRSLGG-UHFFFAOYSA-N
XLogP0.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 50.46
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-2H-benzimidazole?
The IUPAC name of 2-chloro-2H-benzimidazole (CID 19783285) is 2-chloro-2H-benzimidazole.
What is the SMILES notation for 2-chloro-2H-benzimidazole?
The canonical SMILES for 2-chloro-2H-benzimidazole is ClC1N=c2ccccc2=N1.
What is the InChIKey of 2-chloro-2H-benzimidazole?
The InChIKey is AFNNTGRKYRSLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H.
What are the key properties of 2-chloro-2H-benzimidazole?
2-chloro-2H-benzimidazole has a molecular weight of 152.58 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2H-benzimidazole is sourced from PubChem (CID 19783285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).