1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one

C16H13ClN4O — CID 67036268

IUPAC1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one
SMILESO=C1NCC(c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H13ClN4O/c17-11-3-1-10(2-4-11)15-8-18-16(22)21(15)12-5-6-13-14(7-12)20-9-19-13/h1-7,9,15H,8H2,(H,18,22)(H,19,20)
InChIKeyYLESOLRFQYHREY-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.49
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one

1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one (PubChem CID 67036268) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one
PubChem CID67036268
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one
SMILESO=C1NCC(c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H13ClN4O/c17-11-3-1-10(2-4-11)15-8-18-16(22)21(15)12-5-6-13-14(7-12)20-9-19-13/h1-7,9,15H,8H2,(H,18,22)(H,19,20)
InChIKeyYLESOLRFQYHREY-UHFFFAOYSA-N
XLogP3.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one (CID 67036268) is 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one is O=C1NCC(c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one?
The InChIKey is YLESOLRFQYHREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-11-3-1-10(2-4-11)15-8-18-16(22)21(15)12-5-6-13-14(7-12)20-9-19-13/h1-7,9,15H,8H2,(H,18,22)(H,19,20).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one has a molecular weight of 312.76 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 67036268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).