1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole

C25H19ClN2O — CID 4296806

IUPAC1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
SMILESClc1ccccc1Cn1c(COc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C25H19ClN2O/c26-21-12-4-2-9-19(21)16-28-23-14-6-5-13-22(23)27-25(28)17-29-24-15-7-10-18-8-1-3-11-20(18)24/h1-15H,16-17H2
InChIKeyUTPLMJMVLCELOP-UHFFFAOYSA-N
MW398.89 g/mol
LogP6.47
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole

1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole (PubChem CID 4296806) has the molecular formula C25H19ClN2O and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
PubChem CID4296806
Molecular FormulaC25H19ClN2O
Molecular Weight398.89 g/mol
Exact Mass398.12
IUPAC Name1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
SMILESClc1ccccc1Cn1c(COc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C25H19ClN2O/c26-21-12-4-2-9-19(21)16-28-23-14-6-5-13-22(23)27-25(28)17-29-24-15-7-10-18-8-1-3-11-20(18)24/h1-15H,16-17H2
InChIKeyUTPLMJMVLCELOP-UHFFFAOYSA-N
XLogP6.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.89
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878101
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999339
2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
CID 3472678
1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878122
1-[(4-tert-butylphenyl)methyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997320
2-(naphthalen-1-yloxymethyl)-1-(4-phenoxybutyl)benzimidazole
CID 16999401
2-[(2-chlorophenoxy)methyl]-1-prop-2-ynylbenzimidazole
CID 16997288
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole
CID 5088782

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole (CID 4296806) is 1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole is Clc1ccccc1Cn1c(COc2cccc3ccccc23)nc2ccccc21.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole?
The InChIKey is UTPLMJMVLCELOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O/c26-21-12-4-2-9-19(21)16-28-23-14-6-5-13-22(23)27-25(28)17-29-24-15-7-10-18-8-1-3-11-20(18)24/h1-15H,16-17H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole?
1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole has a molecular weight of 398.89 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole is sourced from PubChem (CID 4296806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).