2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid

C23H25N3O3 — CID 10271773

IUPAC2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid
SMILESCC(C)CCn1c(CN2C(=O)C(CC(=O)O)c3ccccc32)nc2ccccc21
InChIInChI=1S/C23H25N3O3/c1-15(2)11-12-25-20-10-6-4-8-18(20)24-21(25)14-26-19-9-5-3-7-16(19)17(23(26)29)13-22(27)28/h3-10,15,17H,11-14H2,1-2H3,(H,27,28)
InChIKeyOPEBRRKJBKZXRL-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.19
Rot. Bonds7

About 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid

2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid (PubChem CID 10271773) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid
PubChem CID10271773
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid
SMILESCC(C)CCn1c(CN2C(=O)C(CC(=O)O)c3ccccc32)nc2ccccc21
InChIInChI=1S/C23H25N3O3/c1-15(2)11-12-25-20-10-6-4-8-18(20)24-21(25)14-26-19-9-5-3-7-16(19)17(23(26)29)13-22(27)28/h3-10,15,17H,11-14H2,1-2H3,(H,27,28)
InChIKeyOPEBRRKJBKZXRL-UHFFFAOYSA-N
XLogP4.19
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(Aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[indole-3,4'-oxane]-2-one
CID 164625740
2-[[3-[(1-Isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoic acid
CID 15956475
2-[[3-[[1-(2-Dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoic acid
CID 15956503
1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one
CID 23517007
N,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 23517018
2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide
CID 23517019
3-Hydroxy-3-methyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indol-2-one
CID 23517075
3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-indol-2-one
CID 23517076
N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 23517197
(R)-3-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine-1-carbonyl)heptanoic acid
CID 23652895
4-[2-[(3,3-Dimethyl-2-oxoindol-1-yl)methyl]benzimidazol-1-yl]butanenitrile
CID 44433600
(3E)-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylmethoxyiminoindol-2-one
CID 45268487

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid?
The IUPAC name of 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid (CID 10271773) is 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid is CC(C)CCn1c(CN2C(=O)C(CC(=O)O)c3ccccc32)nc2ccccc21.
What is the InChIKey of 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid?
The InChIKey is OPEBRRKJBKZXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(2)11-12-25-20-10-6-4-8-18(20)24-21(25)14-26-19-9-5-3-7-16(19)17(23(26)29)13-22(27)28/h3-10,15,17H,11-14H2,1-2H3,(H,27,28).
What are the key properties of 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid?
2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid has a molecular weight of 391.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid is sourced from PubChem (CID 10271773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).