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

C19H18N4O — CID 22063821

IUPAC1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one
SMILESCc1[nH]nc(-c2ccccc2)c1-c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H18N4O/c1-12-17(18(21-20-12)13-7-5-4-6-8-13)14-9-10-15-16(11-14)23(3)19(24)22(15)2/h4-11H,1-3H3,(H,20,21)
InChIKeyTXQGDMWVVQKWSF-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.24
Rot. Bonds2

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

1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one (PubChem CID 22063821) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one
PubChem CID22063821
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one
SMILESCc1[nH]nc(-c2ccccc2)c1-c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H18N4O/c1-12-17(18(21-20-12)13-7-5-4-6-8-13)14-9-10-15-16(11-14)23(3)19(24)22(15)2/h4-11H,1-3H3,(H,20,21)
InChIKeyTXQGDMWVVQKWSF-UHFFFAOYSA-N
XLogP3.24
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one (CID 22063821) is 1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one is Cc1[nH]nc(-c2ccccc2)c1-c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one?
The InChIKey is TXQGDMWVVQKWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12-17(18(21-20-12)13-7-5-4-6-8-13)14-9-10-15-16(11-14)23(3)19(24)22(15)2/h4-11H,1-3H3,(H,20,21).
What are the key properties of 1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one?
1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one has a molecular weight of 318.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one is sourced from PubChem (CID 22063821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).