1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione

C19H18N4O3 — CID 46174642

IUPAC1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione
SMILESCCCOc1ccc(C2C(=O)NC(=O)N2c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C19H18N4O3/c1-2-9-26-14-6-3-12(4-7-14)17-18(24)22-19(25)23(17)13-5-8-15-16(10-13)21-11-20-15/h3-8,10-11,17H,2,9H2,1H3,(H,20,21)(H,22,24,25)
InChIKeyGTFPAKYEYXNXOT-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.15
Rot. Bonds5

About 1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione

1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione (PubChem CID 46174642) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione
PubChem CID46174642
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione
SMILESCCCOc1ccc(C2C(=O)NC(=O)N2c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C19H18N4O3/c1-2-9-26-14-6-3-12(4-7-14)17-18(24)22-19(25)23(17)13-5-8-15-16(10-13)21-11-20-15/h3-8,10-11,17H,2,9H2,1H3,(H,20,21)(H,22,24,25)
InChIKeyGTFPAKYEYXNXOT-UHFFFAOYSA-N
XLogP3.15
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Varoglutamstat
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N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
butanoyl-His-D-Tyr(Et)-Arg-Trp-Gly-NH2
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N-(4-ethoxybenzyl)-1-(4-methoxyphenyl)-1H-benzimidazol-5-amine
CID 1122998
N-(1H-benzimidazol-2-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
CID 11517907
2-Bromo-N-[1-(2-diethylamino-ethyl)-2-(4-ethoxy-benzyl)-1H-benzoimidazol-5-yl]-acetamide
CID 13408929
1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-benzo[d]imidazol-5-yl)-3-isopropyl-1-methylurea
CID 22181403
N-(1-(3-amino-3-oxopropyl)-5-(N-methylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)-4-methoxybenzamide
CID 44588791
1-(1H-benzo(d)imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
CID 51030868
Unii-OG7W8H4D1E
CID 51030869
N-[3-[[6-(4-methoxyphenyl)-7H-purin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
CID 57403897

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione (CID 46174642) is 1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione is CCCOc1ccc(C2C(=O)NC(=O)N2c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is GTFPAKYEYXNXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-2-9-26-14-6-3-12(4-7-14)17-18(24)22-19(25)23(17)13-5-8-15-16(10-13)21-11-20-15/h3-8,10-11,17H,2,9H2,1H3,(H,20,21)(H,22,24,25).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione?
1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 46174642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).