2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide

C19H16N4O3 — CID 134012176

IUPAC2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)NCc3nc4ccccc4n3C)cc2C1=O
InChIInChI=1S/C19H16N4O3/c1-22-15-6-4-3-5-14(15)21-16(22)10-20-17(24)11-7-8-12-13(9-11)19(26)23(2)18(12)25/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeyDYJQXZHIQWCEME-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.73
Rot. Bonds3

About 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide

2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 134012176) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID134012176
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)NCc3nc4ccccc4n3C)cc2C1=O
InChIInChI=1S/C19H16N4O3/c1-22-15-6-4-3-5-14(15)21-16(22)10-20-17(24)11-7-8-12-13(9-11)19(26)23(2)18(12)25/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeyDYJQXZHIQWCEME-UHFFFAOYSA-N
XLogP1.73
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.73
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

3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47161314
4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 27677632
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17480323
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 17476675
N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126797185
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
N-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 51158730
3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
CID 110352040

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide (CID 134012176) is 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)NCc3nc4ccccc4n3C)cc2C1=O.
What is the InChIKey of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is DYJQXZHIQWCEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-22-15-6-4-3-5-14(15)21-16(22)10-20-17(24)11-7-8-12-13(9-11)19(26)23(2)18(12)25/h3-9H,10H2,1-2H3,(H,20,24).
What are the key properties of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 134012176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).