3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one

C23H16ClN3O — CID 122222350

IUPAC3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1[nH]c(-c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C23H16ClN3O/c24-17-12-10-16(11-13-17)20-14-18(15-6-2-1-3-7-15)22(25-20)27-21-9-5-4-8-19(21)26-23(27)28/h1-14,25H,(H,26,28)
InChIKeyUHGLIANUILMASW-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.63
Rot. Bonds3

About 3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one

3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one (PubChem CID 122222350) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one
PubChem CID122222350
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1[nH]c(-c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C23H16ClN3O/c24-17-12-10-16(11-13-17)20-14-18(15-6-2-1-3-7-15)22(25-20)27-21-9-5-4-8-19(21)26-23(27)28/h1-14,25H,(H,26,28)
InChIKeyUHGLIANUILMASW-UHFFFAOYSA-N
XLogP5.63
TPSA53.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one (CID 122222350) is 3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1-c1[nH]c(-c2ccc(Cl)cc2)cc1-c1ccccc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one?
The InChIKey is UHGLIANUILMASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-17-12-10-16(11-13-17)20-14-18(15-6-2-1-3-7-15)22(25-20)27-21-9-5-4-8-19(21)26-23(27)28/h1-14,25H,(H,26,28).
What are the key properties of 3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one?
3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one has a molecular weight of 385.85 g/mol, XLogP of 5.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-3-phenyl-1H-pyrrol-2-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 122222350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).