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

C22H21ClN2O — CID 46310917

IUPAC5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
SMILESCC(C)Cn1c(COc2ccc3ccccc3c2)nc2cc(Cl)ccc21
InChIInChI=1S/C22H21ClN2O/c1-15(2)13-25-21-10-8-18(23)12-20(21)24-22(25)14-26-19-9-7-16-5-3-4-6-17(16)11-19/h3-12,15H,13-14H2,1-2H3
InChIKeyFMJVAEGMXVJXPL-UHFFFAOYSA-N
MW364.88 g/mol
LogP6.08
Rot. Bonds5

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

5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole (PubChem CID 46310917) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
PubChem CID46310917
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
SMILESCC(C)Cn1c(COc2ccc3ccccc3c2)nc2cc(Cl)ccc21
InChIInChI=1S/C22H21ClN2O/c1-15(2)13-25-21-10-8-18(23)12-20(21)24-22(25)14-26-19-9-7-16-5-3-4-6-17(16)11-19/h3-12,15H,13-14H2,1-2H3
InChIKeyFMJVAEGMXVJXPL-UHFFFAOYSA-N
XLogP6.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310916
5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46309158
1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
CID 46310823
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
CID 46310630
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
CID 46310360
3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole
CID 142721250
2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 3107569
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole?
The IUPAC name of 5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole (CID 46310917) is 5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole.
What is the SMILES notation for 5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole?
The canonical SMILES for 5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole is CC(C)Cn1c(COc2ccc3ccccc3c2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole?
The InChIKey is FMJVAEGMXVJXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-15(2)13-25-21-10-8-18(23)12-20(21)24-22(25)14-26-19-9-7-16-5-3-4-6-17(16)11-19/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole?
5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole has a molecular weight of 364.88 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole is sourced from PubChem (CID 46310917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).