2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole

C20H24N2O — CID 23963358

IUPAC2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole
SMILESCCCOc1ccc(Cn2c(C(C)C)nc3ccccc32)cc1
InChIInChI=1S/C20H24N2O/c1-4-13-23-17-11-9-16(10-12-17)14-22-19-8-6-5-7-18(19)21-20(22)15(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyVXDZNOYNSQEBAE-UHFFFAOYSA-N
MW308.43 g/mol
LogP5.00
Rot. Bonds6

About 2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole

2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole (PubChem CID 23963358) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole
PubChem CID23963358
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole
SMILESCCCOc1ccc(Cn2c(C(C)C)nc3ccccc32)cc1
InChIInChI=1S/C20H24N2O/c1-4-13-23-17-11-9-16(10-12-17)14-22-19-8-6-5-7-18(19)21-20(22)15(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyVXDZNOYNSQEBAE-UHFFFAOYSA-N
XLogP5.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3827854
1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 138960942
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
1-[4-(3,5-dimethylphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996565
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996543
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 17027818
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996515
3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline
CID 82097902

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole?
The IUPAC name of 2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole (CID 23963358) is 2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole is CCCOc1ccc(Cn2c(C(C)C)nc3ccccc32)cc1.
What is the InChIKey of 2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole?
The InChIKey is VXDZNOYNSQEBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-13-23-17-11-9-16(10-12-17)14-22-19-8-6-5-7-18(19)21-20(22)15(2)3/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of 2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole?
2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole has a molecular weight of 308.43 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 23963358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).