2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole

C15H12Cl2N2 — CID 29075827

IUPAC2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
SMILESClCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C15H12Cl2N2/c16-9-15-18-13-7-3-4-8-14(13)19(15)10-11-5-1-2-6-12(11)17/h1-8H,9-10H2
InChIKeyPKAFRCRWMOCGDO-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.48
Rot. Bonds3

About 2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole

2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole (PubChem CID 29075827) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
PubChem CID29075827
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
SMILESClCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C15H12Cl2N2/c16-9-15-18-13-7-3-4-8-14(13)19(15)10-11-5-1-2-6-12(11)17/h1-8H,9-10H2
InChIKeyPKAFRCRWMOCGDO-UHFFFAOYSA-N
XLogP4.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
1-[(2-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90664622
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242893
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2992540
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82024681
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 65345066
1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 4296806
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 3160753

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole (CID 29075827) is 2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole is ClCc1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of 2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole?
The InChIKey is PKAFRCRWMOCGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c16-9-15-18-13-7-3-4-8-14(13)19(15)10-11-5-1-2-6-12(11)17/h1-8H,9-10H2.
What are the key properties of 2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole?
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole has a molecular weight of 291.18 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 29075827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).