1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one

C16H17N5O2 — CID 86859714

IUPAC1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one
SMILESCn1c(=O)n(CC(=O)N2CCc3[nH]ncc3C2)c2ccccc21
InChIInChI=1S/C16H17N5O2/c1-19-13-4-2-3-5-14(13)21(16(19)23)10-15(22)20-7-6-12-11(9-20)8-17-18-12/h2-5,8H,6-7,9-10H2,1H3,(H,17,18)
InChIKeyIVNDNJQGQBUUKN-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.65
Rot. Bonds2

About 1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one

1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one (PubChem CID 86859714) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one
PubChem CID86859714
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one
SMILESCn1c(=O)n(CC(=O)N2CCc3[nH]ncc3C2)c2ccccc21
InChIInChI=1S/C16H17N5O2/c1-19-13-4-2-3-5-14(13)21(16(19)23)10-15(22)20-7-6-12-11(9-20)8-17-18-12/h2-5,8H,6-7,9-10H2,1H3,(H,17,18)
InChIKeyIVNDNJQGQBUUKN-UHFFFAOYSA-N
XLogP0.65
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one (CID 86859714) is 1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one is Cn1c(=O)n(CC(=O)N2CCc3[nH]ncc3C2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one?
The InChIKey is IVNDNJQGQBUUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-19-13-4-2-3-5-14(13)21(16(19)23)10-15(22)20-7-6-12-11(9-20)8-17-18-12/h2-5,8H,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one?
1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one has a molecular weight of 311.34 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one is sourced from PubChem (CID 86859714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).