3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one

C22H25N3O2 — CID 23517075

IUPAC3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one
SMILESCC(C)CCn1c(CN2C(=O)C(C)(O)c3ccccc32)nc2ccccc21
InChIInChI=1S/C22H25N3O2/c1-15(2)12-13-24-19-11-7-5-9-17(19)23-20(24)14-25-18-10-6-4-8-16(18)22(3,27)21(25)26/h4-11,15,27H,12-14H2,1-3H3
InChIKeyAKUMIEJKCUXQJL-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.84
Rot. Bonds5

About 3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one

3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one (PubChem CID 23517075) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one
PubChem CID23517075
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one
SMILESCC(C)CCn1c(CN2C(=O)C(C)(O)c3ccccc32)nc2ccccc21
InChIInChI=1S/C22H25N3O2/c1-15(2)12-13-24-19-11-7-5-9-17(19)23-20(24)14-25-18-10-6-4-8-16(18)22(3,27)21(25)26/h4-11,15,27H,12-14H2,1-3H3
InChIKeyAKUMIEJKCUXQJL-UHFFFAOYSA-N
XLogP3.84
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one?
The IUPAC name of 3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one (CID 23517075) is 3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one?
The canonical SMILES for 3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one is CC(C)CCn1c(CN2C(=O)C(C)(O)c3ccccc32)nc2ccccc21.
What is the InChIKey of 3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one?
The InChIKey is AKUMIEJKCUXQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)12-13-24-19-11-7-5-9-17(19)23-20(24)14-25-18-10-6-4-8-16(18)22(3,27)21(25)26/h4-11,15,27H,12-14H2,1-3H3.
What are the key properties of 3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one?
3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one is sourced from PubChem (CID 23517075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).