N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide

C22H24N4O2 — CID 46991384

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)CCCCN1Cc2ccccc2C1=O
InChIInChI=1S/C22H24N4O2/c1-25(15-20-23-18-10-4-5-11-19(18)24-20)21(27)12-6-7-13-26-14-16-8-2-3-9-17(16)22(26)28/h2-5,8-11H,6-7,12-15H2,1H3,(H,23,24)
InChIKeyYVIOKEZPRKOUAI-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.35
Rot. Bonds7

About N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide

N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 46991384) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID46991384
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)CCCCN1Cc2ccccc2C1=O
InChIInChI=1S/C22H24N4O2/c1-25(15-20-23-18-10-4-5-11-19(18)24-20)21(27)12-6-7-13-26-14-16-8-2-3-9-17(16)22(26)28/h2-5,8-11H,6-7,12-15H2,1H3,(H,23,24)
InChIKeyYVIOKEZPRKOUAI-UHFFFAOYSA-N
XLogP3.35
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1H-benzimidazol-2-ylmethyl)-N-methylacetamide
CID 92854492
3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide
CID 134334487
5-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 18870951
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 124855705
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
2-nonyl-3H-isoindol-1-one
CID 132543397
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467875
N-(1H-benzimidazol-2-ylmethyl)-4-(5-chlorothiophen-2-yl)-N-methyl-4-oxobutanamide
CID 36518894
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 86207616
3-[3-(1H-benzimidazol-2-yl)propanoyl-methylamino]propanoic acid
CID 60988746
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140
(4R)-N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethyl-2-oxopiperidine-4-carboxamide
CID 94037007

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide (CID 46991384) is N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide is CN(Cc1nc2ccccc2[nH]1)C(=O)CCCCN1Cc2ccccc2C1=O.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is YVIOKEZPRKOUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25(15-20-23-18-10-4-5-11-19(18)24-20)21(27)12-6-7-13-26-14-16-8-2-3-9-17(16)22(26)28/h2-5,8-11H,6-7,12-15H2,1H3,(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide?
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 376.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 46991384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).