N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide

C22H22N4O3 — CID 21008963

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide
SMILESCCCC(C(=O)NCCc1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H22N4O3/c1-2-7-18(26-21(28)14-8-3-4-9-15(14)22(26)29)20(27)23-13-12-19-24-16-10-5-6-11-17(16)25-19/h3-6,8-11,18H,2,7,12-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyRUGKHJCCPQWMSZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide (PubChem CID 21008963) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide
PubChem CID21008963
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide
SMILESCCCC(C(=O)NCCc1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H22N4O3/c1-2-7-18(26-21(28)14-8-3-4-9-15(14)22(26)29)20(27)23-13-12-19-24-16-10-5-6-11-17(16)25-19/h3-6,8-11,18H,2,7,12-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyRUGKHJCCPQWMSZ-UHFFFAOYSA-N
XLogP2.69
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.69
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

1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 86207616
(2S)-N-(1H-benzimidazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 2596424
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119835102

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide (CID 21008963) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide is CCCC(C(=O)NCCc1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide?
The InChIKey is RUGKHJCCPQWMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-7-18(26-21(28)14-8-3-4-9-15(14)22(26)29)20(27)23-13-12-19-24-16-10-5-6-11-17(16)25-19/h3-6,8-11,18H,2,7,12-13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide has a molecular weight of 390.44 g/mol, XLogP of 2.69, 7 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]-2-(1,3-dioxoisoindol-2-yl)pentanamide is sourced from PubChem (CID 21008963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).