6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole

C23H23ClN2O — CID 46308719

IUPAC6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole
SMILESCCOCCCn1c(Cc2cccc3ccccc23)nc2ccc(Cl)cc21
InChIInChI=1S/C23H23ClN2O/c1-2-27-14-6-13-26-22-16-19(24)11-12-21(22)25-23(26)15-18-9-5-8-17-7-3-4-10-20(17)18/h3-5,7-12,16H,2,6,13-15H2,1H3
InChIKeySXDONEBFGRQYSI-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.86
Rot. Bonds7

About 6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole

6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole (PubChem CID 46308719) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole
PubChem CID46308719
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole
SMILESCCOCCCn1c(Cc2cccc3ccccc23)nc2ccc(Cl)cc21
InChIInChI=1S/C23H23ClN2O/c1-2-27-14-6-13-26-22-16-19(24)11-12-21(22)25-23(26)15-18-9-5-8-17-7-3-4-10-20(17)18/h3-5,7-12,16H,2,6,13-15H2,1H3
InChIKeySXDONEBFGRQYSI-UHFFFAOYSA-N
XLogP5.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole
CID 46308666
2-[6-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanamine
CID 46309314
6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole
CID 46308708
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46309283
2-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308639
5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46308742
3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine
CID 46308643
5-chloro-1-(3-ethoxypropyl)-2-(3-methylphenyl)benzimidazole
CID 46308726
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309291

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole?
The IUPAC name of 6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole (CID 46308719) is 6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole.
What is the SMILES notation for 6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole?
The canonical SMILES for 6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole is CCOCCCn1c(Cc2cccc3ccccc23)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole?
The InChIKey is SXDONEBFGRQYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-2-27-14-6-13-26-22-16-19(24)11-12-21(22)25-23(26)15-18-9-5-8-17-7-3-4-10-20(17)18/h3-5,7-12,16H,2,6,13-15H2,1H3.
What are the key properties of 6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole?
6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole has a molecular weight of 378.90 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole is sourced from PubChem (CID 46308719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).