5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one

C15H18N4O — CID 167949434

IUPAC5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)[nH]c2c1-c1cn(C(C)C)nc1C
InChIInChI=1S/C15H18N4O/c1-8(2)19-7-11(10(4)18-19)13-9(3)5-6-12-14(13)17-15(20)16-12/h5-8H,1-4H3,(H2,16,17,20)
InChIKeyNVVKNGNLGYVXME-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.92
Rot. Bonds2

About 5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one

5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 167949434) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID167949434
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)[nH]c2c1-c1cn(C(C)C)nc1C
InChIInChI=1S/C15H18N4O/c1-8(2)19-7-11(10(4)18-19)13-9(3)5-6-12-14(13)17-15(20)16-12/h5-8H,1-4H3,(H2,16,17,20)
InChIKeyNVVKNGNLGYVXME-UHFFFAOYSA-N
XLogP2.92
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one (CID 167949434) is 5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one is Cc1ccc2[nH]c(=O)[nH]c2c1-c1cn(C(C)C)nc1C.
What is the InChIKey of 5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NVVKNGNLGYVXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-8(2)19-7-11(10(4)18-19)13-9(3)5-6-12-14(13)17-15(20)16-12/h5-8H,1-4H3,(H2,16,17,20).
What are the key properties of 5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 270.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 167949434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).