4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one

C14H11N5O — CID 135636368

IUPAC4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one
SMILESCn1ccc(-c2cc(=O)[nH]c3nc4ccccc4n23)n1
InChIInChI=1S/C14H11N5O/c1-18-7-6-10(17-18)12-8-13(20)16-14-15-9-4-2-3-5-11(9)19(12)14/h2-8H,1H3,(H,15,16,20)
InChIKeyUWNRZTJRFUPWPB-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.58
Rot. Bonds1

About 4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one

4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one (PubChem CID 135636368) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one
PubChem CID135636368
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one
SMILESCn1ccc(-c2cc(=O)[nH]c3nc4ccccc4n23)n1
InChIInChI=1S/C14H11N5O/c1-18-7-6-10(17-18)12-8-13(20)16-14-15-9-4-2-3-5-11(9)19(12)14/h2-8H,1H3,(H,15,16,20)
InChIKeyUWNRZTJRFUPWPB-UHFFFAOYSA-N
XLogP1.58
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one?
The IUPAC name of 4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one (CID 135636368) is 4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one.
What is the SMILES notation for 4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one?
The canonical SMILES for 4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one is Cn1ccc(-c2cc(=O)[nH]c3nc4ccccc4n23)n1.
What is the InChIKey of 4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one?
The InChIKey is UWNRZTJRFUPWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-18-7-6-10(17-18)12-8-13(20)16-14-15-9-4-2-3-5-11(9)19(12)14/h2-8H,1H3,(H,15,16,20).
What are the key properties of 4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one?
4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one has a molecular weight of 265.28 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-3-yl)-1H-pyrimido[1,2-a]benzimidazol-2-one is sourced from PubChem (CID 135636368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).