2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide

C17H21N5O3 — CID 95201522

IUPAC2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
SMILESCc1ccc2nc([C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)C)[nH]c2c1
InChIInChI=1S/C17H21N5O3/c1-9(2)15(16-18-11-5-4-10(3)6-12(11)19-16)20-13(23)7-22-8-14(24)21-17(22)25/h4-6,9,15H,7-8H2,1-3H3,(H,18,19)(H,20,23)(H,21,24,25)/t15-/m0/s1
InChIKeyPDERSTGCORUQOJ-HNNXBMFYSA-N
MW343.39 g/mol
LogP1.24
Rot. Bonds5

About 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide

2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide (PubChem CID 95201522) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
PubChem CID95201522
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
SMILESCc1ccc2nc([C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)C)[nH]c2c1
InChIInChI=1S/C17H21N5O3/c1-9(2)15(16-18-11-5-4-10(3)6-12(11)19-16)20-13(23)7-22-8-14(24)21-17(22)25/h4-6,9,15H,7-8H2,1-3H3,(H,18,19)(H,20,23)(H,21,24,25)/t15-/m0/s1
InChIKeyPDERSTGCORUQOJ-HNNXBMFYSA-N
XLogP1.24
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid
CID 124755764
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide
CID 126448321
1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide
CID 86284531
N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide
CID 99973307
N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide
CID 131889490
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-pyrazin-2-ylpropanamide
CID 118782048
5,6-dimethyl-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 131935989
2-ethyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyrimidine-5-carboxamide
CID 125164946
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 9120351
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
CID 124749354

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide (CID 95201522) is 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide is Cc1ccc2nc([C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)C)[nH]c2c1.
What is the InChIKey of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide?
The InChIKey is PDERSTGCORUQOJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-9(2)15(16-18-11-5-4-10(3)6-12(11)19-16)20-13(23)7-22-8-14(24)21-17(22)25/h4-6,9,15H,7-8H2,1-3H3,(H,18,19)(H,20,23)(H,21,24,25)/t15-/m0/s1.
What are the key properties of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide?
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 95201522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).