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

C27H30N4O4S — CID 143761719

IUPACethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione
SMILESCC.Cc1ccc2nc([C@H](Cc3cccs3)N3C(=O)N[C@H](c4ccc(OCCO)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C25H24N4O4S.C2H6/c1-15-4-9-19-20(13-15)27-23(26-19)21(14-18-3-2-12-34-18)29-24(31)22(28-25(29)32)16-5-7-17(8-6-16)33-11-10-30;1-2/h2-9,12-13,21-22,30H,10-11,14H2,1H3,(H,26,27)(H,28,32);1-2H3/t21-,22+;/m0./s1
InChIKeyLVKHPDTVLCTPFS-UMIAIAFLSA-N
MW506.63 g/mol
LogP4.91
Rot. Bonds8

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

ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione (PubChem CID 143761719) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Nameethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione
PubChem CID143761719
Molecular FormulaC27H30N4O4S
Molecular Weight506.63 g/mol
Exact Mass506.20
IUPAC Nameethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione
SMILESCC.Cc1ccc2nc([C@H](Cc3cccs3)N3C(=O)N[C@H](c4ccc(OCCO)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C25H24N4O4S.C2H6/c1-15-4-9-19-20(13-15)27-23(26-19)21(14-18-3-2-12-34-18)29-24(31)22(28-25(29)32)16-5-7-17(8-6-16)33-11-10-30;1-2/h2-9,12-13,21-22,30H,10-11,14H2,1H3,(H,26,27)(H,28,32);1-2H3/t21-,22+;/m0./s1
InChIKeyLVKHPDTVLCTPFS-UMIAIAFLSA-N
XLogP4.91
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione?
The IUPAC name of ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione (CID 143761719) is ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione?
The canonical SMILES for ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione is CC.Cc1ccc2nc([C@H](Cc3cccs3)N3C(=O)N[C@H](c4ccc(OCCO)cc4)C3=O)[nH]c2c1.
What is the InChIKey of ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione?
The InChIKey is LVKHPDTVLCTPFS-UMIAIAFLSA-N. The full InChI is InChI=1S/C25H24N4O4S.C2H6/c1-15-4-9-19-20(13-15)27-23(26-19)21(14-18-3-2-12-34-18)29-24(31)22(28-25(29)32)16-5-7-17(8-6-16)33-11-10-30;1-2/h2-9,12-13,21-22,30H,10-11,14H2,1H3,(H,26,27)(H,28,32);1-2H3/t21-,22+;/m0./s1.
What are the key properties of ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione?
ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione has a molecular weight of 506.63 g/mol, XLogP of 4.91, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-thiophen-2-ylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143761719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).