3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one

C17H16N4O3 — CID 167875360

IUPAC3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(C(=O)N3CC(Oc4ccccn4)C3)ccc21
InChIInChI=1S/C17H16N4O3/c1-20-14-6-5-11(8-13(14)19-17(20)23)16(22)21-9-12(10-21)24-15-4-2-3-7-18-15/h2-8,12H,9-10H2,1H3,(H,19,23)
InChIKeyVVUCZADTYPWFKU-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.16
Rot. Bonds3

About 3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one

3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one (PubChem CID 167875360) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one
PubChem CID167875360
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(C(=O)N3CC(Oc4ccccn4)C3)ccc21
InChIInChI=1S/C17H16N4O3/c1-20-14-6-5-11(8-13(14)19-17(20)23)16(22)21-9-12(10-21)24-15-4-2-3-7-18-15/h2-8,12H,9-10H2,1H3,(H,19,23)
InChIKeyVVUCZADTYPWFKU-UHFFFAOYSA-N
XLogP1.16
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-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 3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one (CID 167875360) is 3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2cc(C(=O)N3CC(Oc4ccccn4)C3)ccc21.
What is the InChIKey of 3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one?
The InChIKey is VVUCZADTYPWFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-20-14-6-5-11(8-13(14)19-17(20)23)16(22)21-9-12(10-21)24-15-4-2-3-7-18-15/h2-8,12H,9-10H2,1H3,(H,19,23).
What are the key properties of 3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one?
3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one has a molecular weight of 324.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 167875360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).