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

C20H18N8O2 — CID 146422657

IUPAC1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESCC(C)n1nnc(-c2ccc(C3C(=O)NC(=O)N3c3ccc4nc[nH]c4c3)cc2)n1
InChIInChI=1S/C20H18N8O2/c1-11(2)28-25-18(24-26-28)13-5-3-12(4-6-13)17-19(29)23-20(30)27(17)14-7-8-15-16(9-14)22-10-21-15/h3-11,17H,1-2H3,(H,21,22)(H,23,29,30)
InChIKeyRGGJLTYOXHJSDF-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.59
Rot. Bonds4

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

1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 146422657) has the molecular formula C20H18N8O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione
PubChem CID146422657
Molecular FormulaC20H18N8O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESCC(C)n1nnc(-c2ccc(C3C(=O)NC(=O)N3c3ccc4nc[nH]c4c3)cc2)n1
InChIInChI=1S/C20H18N8O2/c1-11(2)28-25-18(24-26-28)13-5-3-12(4-6-13)17-19(29)23-20(30)27(17)14-7-8-15-16(9-14)22-10-21-15/h3-11,17H,1-2H3,(H,21,22)(H,23,29,30)
InChIKeyRGGJLTYOXHJSDF-UHFFFAOYSA-N
XLogP2.59
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(3H-benzimidazol-5-yl)-5-[4-(4-cyclopropyl-1H-pyrrol-2-yl)phenyl]imidazolidine-2,4-dione
CID 146439020
1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidine-2,4-dione
CID 146438996
1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 146439000
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-[2-fluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidine-2,4-dione
CID 146438895
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-(4-chloro-3-methylphenyl)-4-sulfanylideneimidazolidin-2-one
CID 46181575
1-(3H-benzimidazol-5-yl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46181119
6-(2-methyltetrazol-5-yl)-1H-benzimidazole
CID 91211393
1-(3H-benzimidazol-5-yl)-5-(3-hydroxy-4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 46181495
1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one
CID 135923017
(4S)-3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 51029940

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione (CID 146422657) is 1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione is CC(C)n1nnc(-c2ccc(C3C(=O)NC(=O)N3c3ccc4nc[nH]c4c3)cc2)n1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is RGGJLTYOXHJSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O2/c1-11(2)28-25-18(24-26-28)13-5-3-12(4-6-13)17-19(29)23-20(30)27(17)14-7-8-15-16(9-14)22-10-21-15/h3-11,17H,1-2H3,(H,21,22)(H,23,29,30).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione?
1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 402.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-[4-(2-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146422657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).