1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one

C16H14N3O3- — CID 163856766

IUPAC1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(-c2ccccc2N([O-])O)c2ccccc21
InChIInChI=1S/C16H14N3O3/c1-11(2)17-12-7-3-4-8-13(12)18(16(17)20)14-9-5-6-10-15(14)19(21)22/h3-10,21H,1H2,2H3/q-1
InChIKeyKSZGEMBHMPOUQF-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.98
Rot. Bonds3

About 1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one

1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 163856766) has the molecular formula C16H14N3O3- and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID163856766
Molecular FormulaC16H14N3O3-
Molecular Weight296.31 g/mol
Exact Mass296.10
IUPAC Name1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(-c2ccccc2N([O-])O)c2ccccc21
InChIInChI=1S/C16H14N3O3/c1-11(2)17-12-7-3-4-8-13(12)18(16(17)20)14-9-5-6-10-15(14)19(21)22/h3-10,21H,1H2,2H3/q-1
InChIKeyKSZGEMBHMPOUQF-UHFFFAOYSA-N
XLogP2.98
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one (CID 163856766) is 1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(-c2ccccc2N([O-])O)c2ccccc21.
What is the InChIKey of 1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is KSZGEMBHMPOUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N3O3/c1-11(2)17-12-7-3-4-8-13(12)18(16(17)20)14-9-5-6-10-15(14)19(21)22/h3-10,21H,1H2,2H3/q-1.
What are the key properties of 1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 296.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 163856766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).