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

C21H23N3O2 — CID 23517076

IUPAC3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one
SMILESCC(C)CCn1c(CN2C(=O)C(O)c3ccccc32)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-14(2)11-12-23-18-10-6-4-8-16(18)22-19(23)13-24-17-9-5-3-7-15(17)20(25)21(24)26/h3-10,14,20,25H,11-13H2,1-2H3
InChIKeyVZCXJSODYBRPQC-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.66
Rot. Bonds5

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

3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one (PubChem CID 23517076) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one
PubChem CID23517076
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one
SMILESCC(C)CCn1c(CN2C(=O)C(O)c3ccccc32)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-14(2)11-12-23-18-10-6-4-8-16(18)22-19(23)13-24-17-9-5-3-7-15(17)20(25)21(24)26/h3-10,14,20,25H,11-13H2,1-2H3
InChIKeyVZCXJSODYBRPQC-UHFFFAOYSA-N
XLogP3.66
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one?
The IUPAC name of 3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one (CID 23517076) is 3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one is CC(C)CCn1c(CN2C(=O)C(O)c3ccccc32)nc2ccccc21.
What is the InChIKey of 3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one?
The InChIKey is VZCXJSODYBRPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)11-12-23-18-10-6-4-8-16(18)22-19(23)13-24-17-9-5-3-7-15(17)20(25)21(24)26/h3-10,14,20,25H,11-13H2,1-2H3.
What are the key properties of 3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one?
3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one has a molecular weight of 349.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one is sourced from PubChem (CID 23517076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).