10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one

C18H14FN3O — CID 45031572

IUPAC10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
SMILESCc1cc(=O)n2c3ccccc3n(Cc3ccccc3F)c2n1
InChIInChI=1S/C18H14FN3O/c1-12-10-17(23)22-16-9-5-4-8-15(16)21(18(22)20-12)11-13-6-2-3-7-14(13)19/h2-10H,11H2,1H3
InChIKeyOFHNVLLZDHYQJW-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.15
Rot. Bonds2

About 10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one

10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one (PubChem CID 45031572) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
PubChem CID45031572
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
SMILESCc1cc(=O)n2c3ccccc3n(Cc3ccccc3F)c2n1
InChIInChI=1S/C18H14FN3O/c1-12-10-17(23)22-16-9-5-4-8-15(16)21(18(22)20-12)11-13-6-2-3-7-14(13)19/h2-10H,11H2,1H3
InChIKeyOFHNVLLZDHYQJW-UHFFFAOYSA-N
XLogP3.15
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-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 10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one (CID 45031572) is 10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one is Cc1cc(=O)n2c3ccccc3n(Cc3ccccc3F)c2n1.
What is the InChIKey of 10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is OFHNVLLZDHYQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c1-12-10-17(23)22-16-9-5-4-8-15(16)21(18(22)20-12)11-13-6-2-3-7-14(13)19/h2-10H,11H2,1H3.
What are the key properties of 10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one?
10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 307.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 45031572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).