2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide

C23H24N4O3 — CID 55389843

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide
SMILESCCn1c(CNC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O)nc2ccccc21
InChIInChI=1S/C23H24N4O3/c1-4-26-18-12-8-7-11-17(18)25-19(26)13-24-21(28)20(14(2)3)27-22(29)15-9-5-6-10-16(15)23(27)30/h5-12,14,20H,4,13H2,1-3H3,(H,24,28)
InChIKeyVMTSVQITIFGBTG-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.99
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide

2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide (PubChem CID 55389843) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide
PubChem CID55389843
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide
SMILESCCn1c(CNC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O)nc2ccccc21
InChIInChI=1S/C23H24N4O3/c1-4-26-18-12-8-7-11-17(18)25-19(26)13-24-21(28)20(14(2)3)27-22(29)15-9-5-6-10-16(15)23(27)30/h5-12,14,20H,4,13H2,1-3H3,(H,24,28)
InChIKeyVMTSVQITIFGBTG-UHFFFAOYSA-N
XLogP2.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
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CID 16969775
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 55429806
2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
CID 55408770
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
CID 61151100
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
benzyl N-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methylamino]-1-oxopropan-2-yl]carbamate
CID 18116769
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18142627

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide (CID 55389843) is 2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide is CCn1c(CNC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O)nc2ccccc21.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide?
The InChIKey is VMTSVQITIFGBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-4-26-18-12-8-7-11-17(18)25-19(26)13-24-21(28)20(14(2)3)27-22(29)15-9-5-6-10-16(15)23(27)30/h5-12,14,20H,4,13H2,1-3H3,(H,24,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide has a molecular weight of 404.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 55389843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).