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

C25H30N4O2 — CID 23517018

IUPACN,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(C)CCn1c(CN2C(=O)C(CC(=O)N(C)C)c3ccccc32)nc2ccccc21
InChIInChI=1S/C25H30N4O2/c1-17(2)13-14-28-22-12-8-6-10-20(22)26-23(28)16-29-21-11-7-5-9-18(21)19(25(29)31)15-24(30)27(3)4/h5-12,17,19H,13-16H2,1-4H3
InChIKeyFXQCWNMSMFCPCX-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.19
Rot. Bonds7

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

N,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 23517018) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide
PubChem CID23517018
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(C)CCn1c(CN2C(=O)C(CC(=O)N(C)C)c3ccccc32)nc2ccccc21
InChIInChI=1S/C25H30N4O2/c1-17(2)13-14-28-22-12-8-6-10-20(22)26-23(28)16-29-21-11-7-5-9-18(21)19(25(29)31)15-24(30)27(3)4/h5-12,17,19H,13-16H2,1-4H3
InChIKeyFXQCWNMSMFCPCX-UHFFFAOYSA-N
XLogP4.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide (CID 23517018) is N,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-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)N(C)C)c3ccccc32)nc2ccccc21.
What is the InChIKey of N,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is FXQCWNMSMFCPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17(2)13-14-28-22-12-8-6-10-20(22)26-23(28)16-29-21-11-7-5-9-18(21)19(25(29)31)15-24(30)27(3)4/h5-12,17,19H,13-16H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide?
N,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 418.54 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 23517018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).