1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione

C20H13F3N6O2 — CID 146438996

IUPAC1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C20H13F3N6O2/c21-20(22,23)15-8-24-17(27-15)11-3-1-10(2-4-11)16-18(30)28-19(31)29(16)12-5-6-13-14(7-12)26-9-25-13/h1-9,16H,(H,24,27)(H,25,26)(H,28,30,31)
InChIKeySJNHWBDEIMNGFN-UHFFFAOYSA-N
MW426.36 g/mol
LogP3.77
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione

1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 146438996) has the molecular formula C20H13F3N6O2 and a molecular weight of 426.36 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione
PubChem CID146438996
Molecular FormulaC20H13F3N6O2
Molecular Weight426.36 g/mol
Exact Mass426.11
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C20H13F3N6O2/c21-20(22,23)15-8-24-17(27-15)11-3-1-10(2-4-11)16-18(30)28-19(31)29(16)12-5-6-13-14(7-12)26-9-25-13/h1-9,16H,(H,24,27)(H,25,26)(H,28,30,31)
InChIKeySJNHWBDEIMNGFN-UHFFFAOYSA-N
XLogP3.77
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 146439000
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CID 146439020
1-(3H-benzimidazol-5-yl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46181119
1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 146422657
1-(3H-benzimidazol-5-yl)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidine-2,4-dione
CID 146439064
1-(3H-benzimidazol-5-yl)-5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidine-2,4-dione
CID 146438895
N'-[amino(2,2,2-trifluoroethyl)amino]-4-[3-(3H-benzimidazol-5-yl)-2,5-dioxoimidazolidin-4-yl]benzenecarboximidamide
CID 146440136
1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one
CID 146439010
1-(3H-benzimidazol-5-yl)-5-(3-hydroxy-4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 46181495
1-(3H-benzimidazol-5-yl)-5-(4-chloro-3-methylphenyl)-4-sulfanylideneimidazolidin-2-one
CID 46181575
1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one
CID 135923017
1-(3H-benzimidazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]-4-butanoylpyrrolidine-2,3-dione
CID 123182617

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione (CID 146438996) is 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione is O=C1NC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione?
The InChIKey is SJNHWBDEIMNGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6O2/c21-20(22,23)15-8-24-17(27-15)11-3-1-10(2-4-11)16-18(30)28-19(31)29(16)12-5-6-13-14(7-12)26-9-25-13/h1-9,16H,(H,24,27)(H,25,26)(H,28,30,31).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione?
1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 426.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146438996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).