(5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

C19H20N4O2 — CID 51030870

IUPAC(5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
SMILESCCCOc1ccc([C@H]2CNC(=O)N2c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1
InChIKeyXHIKZWOEFZENIX-GOSISDBHSA-N
MW336.40 g/mol
LogP3.62
Rot. Bonds5

About (5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

(5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one (PubChem CID 51030870) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
PubChem CID51030870
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
SMILESCCCOc1ccc([C@H]2CNC(=O)N2c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1
InChIKeyXHIKZWOEFZENIX-GOSISDBHSA-N
XLogP3.62
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one?
The IUPAC name of (5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one (CID 51030870) is (5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one?
The canonical SMILES for (5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one is CCCOc1ccc([C@H]2CNC(=O)N2c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of (5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one?
The InChIKey is XHIKZWOEFZENIX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1.
What are the key properties of (5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one?
(5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one has a molecular weight of 336.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 51030870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).