N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide

C24H26N4O3 — CID 86207634

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide
SMILESCC(NC(=O)CCN1C(=O)CC(C)(c2ccccc2)C1=O)c1nc2ccccc2n1C
InChIInChI=1S/C24H26N4O3/c1-16(22-26-18-11-7-8-12-19(18)27(22)3)25-20(29)13-14-28-21(30)15-24(2,23(28)31)17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,25,29)
InChIKeyRMCSAUHZZJMGGX-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.86
Rot. Bonds6

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide (PubChem CID 86207634) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide
PubChem CID86207634
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide
SMILESCC(NC(=O)CCN1C(=O)CC(C)(c2ccccc2)C1=O)c1nc2ccccc2n1C
InChIInChI=1S/C24H26N4O3/c1-16(22-26-18-11-7-8-12-19(18)27(22)3)25-20(29)13-14-28-21(30)15-24(2,23(28)31)17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,25,29)
InChIKeyRMCSAUHZZJMGGX-UHFFFAOYSA-N
XLogP2.86
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.86
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

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 95860275
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 124571675
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137127135
2-(4-ethylpiperazin-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 131944683
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125446347
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 119890038
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide (CID 86207634) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide is CC(NC(=O)CCN1C(=O)CC(C)(c2ccccc2)C1=O)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide?
The InChIKey is RMCSAUHZZJMGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16(22-26-18-11-7-8-12-19(18)27(22)3)25-20(29)13-14-28-21(30)15-24(2,23(28)31)17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,25,29).
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide has a molecular weight of 418.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 86207634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).