6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride

C14H12Cl2N2 — CID 14518404

IUPAC6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride
SMILESCl.ClCc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C14H11ClN2.ClH/c15-9-10-6-7-12-13(8-10)17-14(16-12)11-4-2-1-3-5-11;/h1-8H,9H2,(H,16,17);1H
InChIKeyYFHFIRBKBTVEKN-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.39
Rot. Bonds2

About 6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride

6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride (PubChem CID 14518404) has the molecular formula C14H12Cl2N2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride
PubChem CID14518404
Molecular FormulaC14H12Cl2N2
Molecular Weight279.17 g/mol
Exact Mass278.04
IUPAC Name6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride
SMILESCl.ClCc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C14H11ClN2.ClH/c15-9-10-6-7-12-13(8-10)17-14(16-12)11-4-2-1-3-5-11;/h1-8H,9H2,(H,16,17);1H
InChIKeyYFHFIRBKBTVEKN-UHFFFAOYSA-N
XLogP4.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane
CID 143045069
2-phenyl-3H-benzimidazole-5-thiol
CID 57216404
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide
CID 110773431
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine
CID 123138623
N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
CID 53131415
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride?
The IUPAC name of 6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride (CID 14518404) is 6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride?
The canonical SMILES for 6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride is Cl.ClCc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride?
The InChIKey is YFHFIRBKBTVEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2.ClH/c15-9-10-6-7-12-13(8-10)17-14(16-12)11-4-2-1-3-5-11;/h1-8H,9H2,(H,16,17);1H.
What are the key properties of 6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride?
6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride has a molecular weight of 279.17 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 14518404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).