4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole

C16H14Cl2N2O — CID 104837341

IUPAC4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccccc1Cn1c(CCl)nc2c(Cl)cccc21
InChIInChI=1S/C16H14Cl2N2O/c1-21-14-8-3-2-5-11(14)10-20-13-7-4-6-12(18)16(13)19-15(20)9-17/h2-8H,9-10H2,1H3
InChIKeyNJYIZZCMWUMNDD-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.49
Rot. Bonds4

About 4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole

4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole (PubChem CID 104837341) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
PubChem CID104837341
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccccc1Cn1c(CCl)nc2c(Cl)cccc21
InChIInChI=1S/C16H14Cl2N2O/c1-21-14-8-3-2-5-11(14)10-20-13-7-4-6-12(18)16(13)19-15(20)9-17/h2-8H,9-10H2,1H3
InChIKeyNJYIZZCMWUMNDD-UHFFFAOYSA-N
XLogP4.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole
CID 104837373
4-chloro-2-(chloromethyl)-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 113459146
4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 104837476
4-chloro-2-(chloromethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 113459144
1-butyl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837320
4-chloro-2-(chloromethyl)-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole
CID 113459143
4-chloro-2-(chloromethyl)-1-[(3-methylthiophen-2-yl)methyl]benzimidazole
CID 104838484
2-[[4-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375946
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
7-chloro-3-[(2-methoxyphenyl)methyl]-1H-benzimidazole-2-thione
CID 104836128
1-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 104837914
4-chloro-2-(chloromethyl)-1-(2-pyridin-2-ylethyl)benzimidazole
CID 104837353

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole (CID 104837341) is 4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole is COc1ccccc1Cn1c(CCl)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole?
The InChIKey is NJYIZZCMWUMNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-21-14-8-3-2-5-11(14)10-20-13-7-4-6-12(18)16(13)19-15(20)9-17/h2-8H,9-10H2,1H3.
What are the key properties of 4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole?
4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole has a molecular weight of 321.21 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 104837341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).