4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one

C17H14N4O — CID 14470918

IUPAC4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H14N4O/c1-11-15(16-18-13-9-5-6-10-14(13)19-16)17(22)21(20-11)12-7-3-2-4-8-12/h2-10,20H,1H3,(H,18,19)
InChIKeyBMLVHTKALYCPEW-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.02
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one

4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one (PubChem CID 14470918) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one
PubChem CID14470918
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H14N4O/c1-11-15(16-18-13-9-5-6-10-14(13)19-16)17(22)21(20-11)12-7-3-2-4-8-12/h2-10,20H,1H3,(H,18,19)
InChIKeyBMLVHTKALYCPEW-UHFFFAOYSA-N
XLogP3.02
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one (CID 14470918) is 4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one?
The InChIKey is BMLVHTKALYCPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-11-15(16-18-13-9-5-6-10-14(13)19-16)17(22)21(20-11)12-7-3-2-4-8-12/h2-10,20H,1H3,(H,18,19).
What are the key properties of 4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one?
4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one has a molecular weight of 290.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 14470918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).