1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one

C21H18N4O — CID 167055930

IUPAC1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one
SMILESCn1c2c(n(-c3ccc4[nH]nc(-c5ccccc5)c4c3)c1=O)CCC=C2
InChIInChI=1S/C21H18N4O/c1-24-18-9-5-6-10-19(18)25(21(24)26)15-11-12-17-16(13-15)20(23-22-17)14-7-3-2-4-8-14/h2-5,7-9,11-13H,6,10H2,1H3,(H,22,23)
InChIKeyZUJNXGLUMRFQRJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.68
Rot. Bonds2

About 1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one

1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one (PubChem CID 167055930) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one
PubChem CID167055930
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one
SMILESCn1c2c(n(-c3ccc4[nH]nc(-c5ccccc5)c4c3)c1=O)CCC=C2
InChIInChI=1S/C21H18N4O/c1-24-18-9-5-6-10-19(18)25(21(24)26)15-11-12-17-16(13-15)20(23-22-17)14-7-3-2-4-8-14/h2-5,7-9,11-13H,6,10H2,1H3,(H,22,23)
InChIKeyZUJNXGLUMRFQRJ-UHFFFAOYSA-N
XLogP3.68
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one?
The IUPAC name of 1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one (CID 167055930) is 1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one?
The canonical SMILES for 1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one is Cn1c2c(n(-c3ccc4[nH]nc(-c5ccccc5)c4c3)c1=O)CCC=C2.
What is the InChIKey of 1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one?
The InChIKey is ZUJNXGLUMRFQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-24-18-9-5-6-10-19(18)25(21(24)26)15-11-12-17-16(13-15)20(23-22-17)14-7-3-2-4-8-14/h2-5,7-9,11-13H,6,10H2,1H3,(H,22,23).
What are the key properties of 1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one?
1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one has a molecular weight of 342.40 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one is sourced from PubChem (CID 167055930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).