N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide

C30H32N4O2 — CID 23517197

IUPACN-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(C)CCn1c(CN2C(=O)C(CC(=O)NCc3ccccc3)c3ccccc32)nc2ccccc21
InChIInChI=1S/C30H32N4O2/c1-21(2)16-17-33-27-15-9-7-13-25(27)32-28(33)20-34-26-14-8-6-12-23(26)24(30(34)36)18-29(35)31-19-22-10-4-3-5-11-22/h3-15,21,24H,16-20H2,1-2H3,(H,31,35)
InChIKeyQNCRHYSOVTUTJR-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.42
Rot. Bonds9

About N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide

N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 23517197) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide
PubChem CID23517197
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC NameN-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(C)CCn1c(CN2C(=O)C(CC(=O)NCc3ccccc3)c3ccccc32)nc2ccccc21
InChIInChI=1S/C30H32N4O2/c1-21(2)16-17-33-27-15-9-7-13-25(27)32-28(33)20-34-26-14-8-6-12-23(26)24(30(34)36)18-29(35)31-19-22-10-4-3-5-11-22/h3-15,21,24H,16-20H2,1-2H3,(H,31,35)
InChIKeyQNCRHYSOVTUTJR-UHFFFAOYSA-N
XLogP5.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970595
1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylmethoxyiminoindol-2-one
CID 74058194
methyl 4-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzoate
CID 23551558
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619678
sodium 3-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzoate
CID 23551439
methyl 4-[[(Z)-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxoindol-3-ylidene]amino]oxymethyl]benzoate
CID 23517177
6-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 15956454
(Z)-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970757
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966506
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
N-benzyl-2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 25251832
methyl 4-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indazol-3-yl]benzoate
CID 23517178

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide (CID 23517197) is N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide is CC(C)CCn1c(CN2C(=O)C(CC(=O)NCc3ccccc3)c3ccccc32)nc2ccccc21.
What is the InChIKey of N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is QNCRHYSOVTUTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-21(2)16-17-33-27-15-9-7-13-25(27)32-28(33)20-34-26-14-8-6-12-23(26)24(30(34)36)18-29(35)31-19-22-10-4-3-5-11-22/h3-15,21,24H,16-20H2,1-2H3,(H,31,35).
What are the key properties of N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide?
N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 480.61 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 23517197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).