(5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C26H29N5O4 — CID 40798839

IUPAC(5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O
InChIInChI=1S/C26H29N5O4/c1-26(14-11-18-7-3-2-4-8-18)23(33)30(25(35)28-26)17-22(32)29-15-12-19(13-16-29)31-21-10-6-5-9-20(21)27-24(31)34/h2-10,19H,11-17H2,1H3,(H,27,34)(H,28,35)/t26-/m1/s1
InChIKeyPCLWKVTZVZMJHK-AREMUKBSSA-N
MW475.55 g/mol
LogP2.44
Rot. Bonds6

About (5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

(5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 40798839) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is (5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID40798839
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name(5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O
InChIInChI=1S/C26H29N5O4/c1-26(14-11-18-7-3-2-4-8-18)23(33)30(25(35)28-26)17-22(32)29-15-12-19(13-16-29)31-21-10-6-5-9-20(21)27-24(31)34/h2-10,19H,11-17H2,1H3,(H,27,34)(H,28,35)/t26-/m1/s1
InChIKeyPCLWKVTZVZMJHK-AREMUKBSSA-N
XLogP2.44
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.44
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

N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 40880372
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
(5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 40803564
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 41012964
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 56810285
3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 60531984

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 40798839) is (5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O.
What is the InChIKey of (5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is PCLWKVTZVZMJHK-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-26(14-11-18-7-3-2-4-8-18)23(33)30(25(35)28-26)17-22(32)29-15-12-19(13-16-29)31-21-10-6-5-9-20(21)27-24(31)34/h2-10,19H,11-17H2,1H3,(H,27,34)(H,28,35)/t26-/m1/s1.
What are the key properties of (5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 475.55 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 40798839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).