1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one

C20H17N5OS — CID 146422815

IUPAC1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one
SMILESCc1csc(-c2ccc(C3CNC(=O)N3c3ccc4nc[nH]c4c3)cc2)n1
InChIInChI=1S/C20H17N5OS/c1-12-10-27-19(24-12)14-4-2-13(3-5-14)18-9-21-20(26)25(18)15-6-7-16-17(8-15)23-11-22-16/h2-8,10-11,18H,9H2,1H3,(H,21,26)(H,22,23)
InChIKeyARSYWUVMRURROX-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.27
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one

1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one (PubChem CID 146422815) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one
PubChem CID146422815
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one
SMILESCc1csc(-c2ccc(C3CNC(=O)N3c3ccc4nc[nH]c4c3)cc2)n1
InChIInChI=1S/C20H17N5OS/c1-12-10-27-19(24-12)14-4-2-13(3-5-14)18-9-21-20(26)25(18)15-6-7-16-17(8-15)23-11-22-16/h2-8,10-11,18H,9H2,1H3,(H,21,26)(H,22,23)
InChIKeyARSYWUVMRURROX-UHFFFAOYSA-N
XLogP4.27
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one (CID 146422815) is 1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one is Cc1csc(-c2ccc(C3CNC(=O)N3c3ccc4nc[nH]c4c3)cc2)n1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one?
The InChIKey is ARSYWUVMRURROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-12-10-27-19(24-12)14-4-2-13(3-5-14)18-9-21-20(26)25(18)15-6-7-16-17(8-15)23-11-22-16/h2-8,10-11,18H,9H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one has a molecular weight of 375.46 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 146422815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).