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

C22H18N6O2 — CID 146439000

IUPAC1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(-c2cnc(C3CC3)[nH]2)cc1
InChIInChI=1S/C22H18N6O2/c29-21-19(28(22(30)27-21)15-7-8-16-17(9-15)25-11-24-16)13-3-1-12(2-4-13)18-10-23-20(26-18)14-5-6-14/h1-4,7-11,14,19H,5-6H2,(H,23,26)(H,24,25)(H,27,29,30)
InChIKeyPJQSQANWKWTZBZ-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.63
Rot. Bonds4

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

1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 146439000) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
PubChem CID146439000
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(-c2cnc(C3CC3)[nH]2)cc1
InChIInChI=1S/C22H18N6O2/c29-21-19(28(22(30)27-21)15-7-8-16-17(9-15)25-11-24-16)13-3-1-12(2-4-13)18-10-23-20(26-18)14-5-6-14/h1-4,7-11,14,19H,5-6H2,(H,23,26)(H,24,25)(H,27,29,30)
InChIKeyPJQSQANWKWTZBZ-UHFFFAOYSA-N
XLogP3.63
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.63
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-(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-propan-2-yltetrazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 146422657
1-(3H-benzimidazol-5-yl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46181119
N'-[amino(2,2,2-trifluoroethyl)amino]-4-[3-(3H-benzimidazol-5-yl)-2,5-dioxoimidazolidin-4-yl]benzenecarboximidamide
CID 146440136
3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
CID 58229114
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
(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one
CID 138503619
1-(3H-benzimidazol-5-yl)-5-(4-chloro-3-methylphenyl)-4-sulfanylideneimidazolidin-2-one
CID 46181575
2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one
CID 135923017

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione (CID 146439000) is 1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(-c2cnc(C3CC3)[nH]2)cc1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is PJQSQANWKWTZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c29-21-19(28(22(30)27-21)15-7-8-16-17(9-15)25-11-24-16)13-3-1-12(2-4-13)18-10-23-20(26-18)14-5-6-14/h1-4,7-11,14,19H,5-6H2,(H,23,26)(H,24,25)(H,27,29,30).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione?
1-(3H-benzimidazol-5-yl)-5-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 398.43 g/mol, XLogP of 3.63, 4 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-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146439000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).