N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide

C20H18N4O3 — CID 30209277

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H18N4O3/c25-18-9-10-19(26)24(18)14-7-5-13(6-8-14)20(27)21-12-11-17-22-15-3-1-2-4-16(15)23-17/h1-8H,9-12H2,(H,21,27)(H,22,23)
InChIKeyWPFVCIFJMXTSNN-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.19
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 30209277) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID30209277
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H18N4O3/c25-18-9-10-19(26)24(18)14-7-5-13(6-8-14)20(27)21-12-11-17-22-15-3-1-2-4-16(15)23-17/h1-8H,9-12H2,(H,21,27)(H,22,23)
InChIKeyWPFVCIFJMXTSNN-UHFFFAOYSA-N
XLogP2.19
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.19
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

4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 27161540
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 30248954
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 30209147

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 30209277) is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(NCCc1nc2ccccc2[nH]1)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is WPFVCIFJMXTSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-18-9-10-19(26)24(18)14-7-5-13(6-8-14)20(27)21-12-11-17-22-15-3-1-2-4-16(15)23-17/h1-8H,9-12H2,(H,21,27)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 362.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 30209277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).