5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole

C21H19ClN2O2 — CID 46309158

IUPAC5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
SMILESCOCCn1c(COc2ccc3ccccc3c2)nc2cc(Cl)ccc21
InChIInChI=1S/C21H19ClN2O2/c1-25-11-10-24-20-9-7-17(22)13-19(20)23-21(24)14-26-18-8-6-15-4-2-3-5-16(15)12-18/h2-9,12-13H,10-11,14H2,1H3
InChIKeyHIURBBVJIXFSHC-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.07
Rot. Bonds6

About 5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole

5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole (PubChem CID 46309158) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
PubChem CID46309158
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
SMILESCOCCn1c(COc2ccc3ccccc3c2)nc2cc(Cl)ccc21
InChIInChI=1S/C21H19ClN2O2/c1-25-11-10-24-20-9-7-17(22)13-19(20)23-21(24)14-26-18-8-6-15-4-2-3-5-16(15)12-18/h2-9,12-13H,10-11,14H2,1H3
InChIKeyHIURBBVJIXFSHC-UHFFFAOYSA-N
XLogP5.07
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310917
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 46309145
2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 3107569
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
6-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310916
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
1-(3-bromopropyl)-5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 21188782
3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46309007
5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole
CID 46308613
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole?
The IUPAC name of 5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole (CID 46309158) is 5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole.
What is the SMILES notation for 5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole?
The canonical SMILES for 5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole is COCCn1c(COc2ccc3ccccc3c2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole?
The InChIKey is HIURBBVJIXFSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-25-11-10-24-20-9-7-17(22)13-19(20)23-21(24)14-26-18-8-6-15-4-2-3-5-16(15)12-18/h2-9,12-13H,10-11,14H2,1H3.
What are the key properties of 5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole?
5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole has a molecular weight of 366.85 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole is sourced from PubChem (CID 46309158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).