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

C21H23N3O — CID 23517007

IUPAC1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one
SMILESCC(C)CCn1c(CN2C(=O)Cc3ccccc32)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-15(2)11-12-23-19-10-6-4-8-17(19)22-20(23)14-24-18-9-5-3-7-16(18)13-21(24)25/h3-10,15H,11-14H2,1-2H3
InChIKeyYNJSOWDLQHUAOF-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.17
Rot. Bonds5

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

1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one (PubChem CID 23517007) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one
PubChem CID23517007
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one
SMILESCC(C)CCn1c(CN2C(=O)Cc3ccccc32)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-15(2)11-12-23-19-10-6-4-8-17(19)22-20(23)14-24-18-9-5-3-7-16(18)13-21(24)25/h3-10,15H,11-14H2,1-2H3
InChIKeyYNJSOWDLQHUAOF-UHFFFAOYSA-N
XLogP4.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one?
The IUPAC name of 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one (CID 23517007) is 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one?
The canonical SMILES for 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one is CC(C)CCn1c(CN2C(=O)Cc3ccccc32)nc2ccccc21.
What is the InChIKey of 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one?
The InChIKey is YNJSOWDLQHUAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15(2)11-12-23-19-10-6-4-8-17(19)22-20(23)14-24-18-9-5-3-7-16(18)13-21(24)25/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one?
1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one has a molecular weight of 333.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one is sourced from PubChem (CID 23517007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).