2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole

C24H16Cl2N2 — CID 16987710

IUPAC2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2Cc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C24H16Cl2N2/c25-18-12-13-20(21(26)14-18)24-27-22-10-3-4-11-23(22)28(24)15-17-8-5-7-16-6-1-2-9-19(16)17/h1-14H,15H2
InChIKeyNRJVVOBHLNJLKN-UHFFFAOYSA-N
MW403.31 g/mol
LogP7.21
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole

2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole (PubChem CID 16987710) has the molecular formula C24H16Cl2N2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
PubChem CID16987710
Molecular FormulaC24H16Cl2N2
Molecular Weight403.31 g/mol
Exact Mass402.07
IUPAC Name2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2Cc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C24H16Cl2N2/c25-18-12-13-20(21(26)14-18)24-27-22-10-3-4-11-23(22)28(24)15-17-8-5-7-16-6-1-2-9-19(16)17/h1-14H,15H2
InChIKeyNRJVVOBHLNJLKN-UHFFFAOYSA-N
XLogP7.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 134083955
2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16987769
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18878804
2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 16987747
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 17033179
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16987815
N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
CID 17033158
2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18811357
2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16987724
2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 106861835

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole (CID 16987710) is 2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole is Clc1ccc(-c2nc3ccccc3n2Cc2cccc3ccccc23)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole?
The InChIKey is NRJVVOBHLNJLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N2/c25-18-12-13-20(21(26)14-18)24-27-22-10-3-4-11-23(22)28(24)15-17-8-5-7-16-6-1-2-9-19(16)17/h1-14H,15H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole?
2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole has a molecular weight of 403.31 g/mol, XLogP of 7.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole is sourced from PubChem (CID 16987710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).