1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one

C20H14ClFN4OS — CID 146422669

IUPAC1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one
SMILESO=C1NCC(c2ccc(-c3ccc(Cl)s3)c(F)c2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H14ClFN4OS/c21-19-6-5-18(28-19)13-3-1-11(7-14(13)22)17-9-23-20(27)26(17)12-2-4-15-16(8-12)25-10-24-15/h1-8,10,17H,9H2,(H,23,27)(H,24,25)
InChIKeyLAGPOAGCHQADFC-UHFFFAOYSA-N
MW412.88 g/mol
LogP5.35
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one

1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one (PubChem CID 146422669) has the molecular formula C20H14ClFN4OS and a molecular weight of 412.88 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one
PubChem CID146422669
Molecular FormulaC20H14ClFN4OS
Molecular Weight412.88 g/mol
Exact Mass412.06
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one
SMILESO=C1NCC(c2ccc(-c3ccc(Cl)s3)c(F)c2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H14ClFN4OS/c21-19-6-5-18(28-19)13-3-1-11(7-14(13)22)17-9-23-20(27)26(17)12-2-4-15-16(8-12)25-10-24-15/h1-8,10,17H,9H2,(H,23,27)(H,24,25)
InChIKeyLAGPOAGCHQADFC-UHFFFAOYSA-N
XLogP5.35
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.88
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one (CID 146422669) is 1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one is O=C1NCC(c2ccc(-c3ccc(Cl)s3)c(F)c2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one?
The InChIKey is LAGPOAGCHQADFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4OS/c21-19-6-5-18(28-19)13-3-1-11(7-14(13)22)17-9-23-20(27)26(17)12-2-4-15-16(8-12)25-10-24-15/h1-8,10,17H,9H2,(H,23,27)(H,24,25).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one has a molecular weight of 412.88 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one is sourced from PubChem (CID 146422669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).