5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one

C15H12FN3O2 — CID 110721681

IUPAC5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one
SMILESCn1c(=O)n(C(=O)c2cccc(F)c2)c2cc(N)ccc21
InChIInChI=1S/C15H12FN3O2/c1-18-12-6-5-11(17)8-13(12)19(15(18)21)14(20)9-3-2-4-10(16)7-9/h2-8H,17H2,1H3
InChIKeyYPBUINNONYJXQR-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.75
Rot. Bonds1

About 5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one

5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one (PubChem CID 110721681) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one
PubChem CID110721681
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one
SMILESCn1c(=O)n(C(=O)c2cccc(F)c2)c2cc(N)ccc21
InChIInChI=1S/C15H12FN3O2/c1-18-12-6-5-11(17)8-13(12)19(15(18)21)14(20)9-3-2-4-10(16)7-9/h2-8H,17H2,1H3
InChIKeyYPBUINNONYJXQR-UHFFFAOYSA-N
XLogP1.75
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one?
The IUPAC name of 5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one (CID 110721681) is 5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one?
The canonical SMILES for 5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one is Cn1c(=O)n(C(=O)c2cccc(F)c2)c2cc(N)ccc21.
What is the InChIKey of 5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one?
The InChIKey is YPBUINNONYJXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-18-12-6-5-11(17)8-13(12)19(15(18)21)14(20)9-3-2-4-10(16)7-9/h2-8H,17H2,1H3.
What are the key properties of 5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one?
5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one has a molecular weight of 285.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one is sourced from PubChem (CID 110721681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).