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

C21H16F3N5O — CID 146439010

IUPAC1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one
SMILESO=C1NCC(c2ccc(-c3c[nH]c(C(F)(F)F)c3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C21H16F3N5O/c22-21(23,24)19-7-14(9-25-19)12-1-3-13(4-2-12)18-10-26-20(30)29(18)15-5-6-16-17(8-15)28-11-27-16/h1-9,11,18,25H,10H2,(H,26,30)(H,27,28)
InChIKeyFMDOIVGJSXGPFN-UHFFFAOYSA-N
MW411.39 g/mol
LogP4.85
Rot. Bonds3

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

1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one (PubChem CID 146439010) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one
PubChem CID146439010
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one
SMILESO=C1NCC(c2ccc(-c3c[nH]c(C(F)(F)F)c3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C21H16F3N5O/c22-21(23,24)19-7-14(9-25-19)12-1-3-13(4-2-12)18-10-26-20(30)29(18)15-5-6-16-17(8-15)28-11-27-16/h1-9,11,18,25H,10H2,(H,26,30)(H,27,28)
InChIKeyFMDOIVGJSXGPFN-UHFFFAOYSA-N
XLogP4.85
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one (CID 146439010) is 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one is O=C1NCC(c2ccc(-c3c[nH]c(C(F)(F)F)c3)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one?
The InChIKey is FMDOIVGJSXGPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c22-21(23,24)19-7-14(9-25-19)12-1-3-13(4-2-12)18-10-26-20(30)29(18)15-5-6-16-17(8-15)28-11-27-16/h1-9,11,18,25H,10H2,(H,26,30)(H,27,28).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one has a molecular weight of 411.39 g/mol, XLogP of 4.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 146439010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).