5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole

C20H23ClN2O2 — CID 46310881

IUPAC5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole
SMILESCOc1ccc(Cc2nc3cc(Cl)ccc3n2CC(C)C)cc1OC
InChIInChI=1S/C20H23ClN2O2/c1-13(2)12-23-17-7-6-15(21)11-16(17)22-20(23)10-14-5-8-18(24-3)19(9-14)25-4/h5-9,11,13H,10,12H2,1-4H3
InChIKeyKRIZUJGFIWGNFG-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.95
Rot. Bonds6

About 5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole

5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole (PubChem CID 46310881) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole
PubChem CID46310881
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole
SMILESCOc1ccc(Cc2nc3cc(Cl)ccc3n2CC(C)C)cc1OC
InChIInChI=1S/C20H23ClN2O2/c1-13(2)12-23-17-7-6-15(21)11-16(17)22-20(23)10-14-5-8-18(24-3)19(9-14)25-4/h5-9,11,13H,10,12H2,1-4H3
InChIKeyKRIZUJGFIWGNFG-UHFFFAOYSA-N
XLogP4.95
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole (CID 46310881) is 5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole is COc1ccc(Cc2nc3cc(Cl)ccc3n2CC(C)C)cc1OC.
What is the InChIKey of 5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole?
The InChIKey is KRIZUJGFIWGNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-13(2)12-23-17-7-6-15(21)11-16(17)22-20(23)10-14-5-8-18(24-3)19(9-14)25-4/h5-9,11,13H,10,12H2,1-4H3.
What are the key properties of 5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole?
5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole has a molecular weight of 358.87 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 46310881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).