(5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione

C18H23N5O2 — CID 95780966

IUPAC(5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCn1c(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)nc2ccccc21
InChIInChI=1S/C18H23N5O2/c1-18(16(24)20-17(25)21-18)12-6-5-9-23(10-12)11-15-19-13-7-3-4-8-14(13)22(15)2/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,20,21,24,25)/t12-,18+/m1/s1
InChIKeyUNQVBBXOJBDCBE-XIKOKIGWSA-N
MW341.42 g/mol
LogP1.38
Rot. Bonds3

About (5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione

(5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 95780966) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID95780966
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCn1c(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)nc2ccccc21
InChIInChI=1S/C18H23N5O2/c1-18(16(24)20-17(25)21-18)12-6-5-9-23(10-12)11-15-19-13-7-3-4-8-14(13)22(15)2/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,20,21,24,25)/t12-,18+/m1/s1
InChIKeyUNQVBBXOJBDCBE-XIKOKIGWSA-N
XLogP1.38
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782835
1-methyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 71926955
2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
CID 124941136
1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole
CID 124992897
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 25286163
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 125024022
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124814723

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione (CID 95780966) is (5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione is Cn1c(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)nc2ccccc21.
What is the InChIKey of (5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is UNQVBBXOJBDCBE-XIKOKIGWSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-18(16(24)20-17(25)21-18)12-6-5-9-23(10-12)11-15-19-13-7-3-4-8-14(13)22(15)2/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,20,21,24,25)/t12-,18+/m1/s1.
What are the key properties of (5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 341.42 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 95780966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).