N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide

C24H18N4O3 — CID 112791052

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C24H18N4O3/c29-22(25-13-21-26-19-8-4-5-9-20(19)27-21)16-10-11-17-18(12-16)24(31)28(23(17)30)14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,29)(H,26,27)
InChIKeyUGOMRJRBFFTHOA-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.29
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 112791052) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID112791052
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C24H18N4O3/c29-22(25-13-21-26-19-8-4-5-9-20(19)27-21)16-10-11-17-18(12-16)24(31)28(23(17)30)14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,29)(H,26,27)
InChIKeyUGOMRJRBFFTHOA-UHFFFAOYSA-N
XLogP3.29
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 21008764
N-(1H-benzimidazol-2-ylmethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 21008776
N-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
2-benzyl-1,3-dioxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide
CID 38346112
2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 33451204
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 55732320
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108760495
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide (CID 112791052) is N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is UGOMRJRBFFTHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c29-22(25-13-21-26-19-8-4-5-9-20(19)27-21)16-10-11-17-18(12-16)24(31)28(23(17)30)14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,29)(H,26,27).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 112791052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).