ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione

C22H26N4O4 — CID 143761721

IUPACethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCC.Cc1ccc2nc(CN3C(=O)N[C@H](c4ccc(OCCO)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C20H20N4O4.C2H6/c1-12-2-7-15-16(10-12)22-17(21-15)11-24-19(26)18(23-20(24)27)13-3-5-14(6-4-13)28-9-8-25;1-2/h2-7,10,18,25H,8-9,11H2,1H3,(H,21,22)(H,23,27);1-2H3/t18-;/m1./s1
InChIKeyRADZAMSHZGCYOT-GMUIIQOCSA-N
MW410.47 g/mol
LogP3.06
Rot. Bonds6

About ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione

ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 143761721) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Nameethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID143761721
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Nameethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCC.Cc1ccc2nc(CN3C(=O)N[C@H](c4ccc(OCCO)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C20H20N4O4.C2H6/c1-12-2-7-15-16(10-12)22-17(21-15)11-24-19(26)18(23-20(24)27)13-3-5-14(6-4-13)28-9-8-25;1-2/h2-7,10,18,25H,8-9,11H2,1H3,(H,21,22)(H,23,27);1-2H3/t18-;/m1./s1
InChIKeyRADZAMSHZGCYOT-GMUIIQOCSA-N
XLogP3.06
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione (CID 143761721) is ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione is CC.Cc1ccc2nc(CN3C(=O)N[C@H](c4ccc(OCCO)cc4)C3=O)[nH]c2c1.
What is the InChIKey of ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is RADZAMSHZGCYOT-GMUIIQOCSA-N. The full InChI is InChI=1S/C20H20N4O4.C2H6/c1-12-2-7-15-16(10-12)22-17(21-15)11-24-19(26)18(23-20(24)27)13-3-5-14(6-4-13)28-9-8-25;1-2/h2-7,10,18,25H,8-9,11H2,1H3,(H,21,22)(H,23,27);1-2H3/t18-;/m1./s1.
What are the key properties of ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione?
ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 410.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143761721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).