5-pentylbenzimidazol-2-one

C12H14N2O — CID 67174843

IUPAC5-pentylbenzimidazol-2-one
SMILESCCCCCc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C12H14N2O/c1-2-3-4-5-9-6-7-10-11(8-9)14-12(15)13-10/h6-8H,2-5H2,1H3
InChIKeySCFQENHFHAUPEM-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.79
Rot. Bonds4

About 5-pentylbenzimidazol-2-one

5-pentylbenzimidazol-2-one (PubChem CID 67174843) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-pentylbenzimidazol-2-one.

Molecular Properties

Compound Name5-pentylbenzimidazol-2-one
PubChem CID67174843
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-pentylbenzimidazol-2-one
SMILESCCCCCc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C12H14N2O/c1-2-3-4-5-9-6-7-10-11(8-9)14-12(15)13-10/h6-8H,2-5H2,1H3
InChIKeySCFQENHFHAUPEM-UHFFFAOYSA-N
XLogP1.79
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-pentylbenzimidazol-2-one?
The IUPAC name of 5-pentylbenzimidazol-2-one (CID 67174843) is 5-pentylbenzimidazol-2-one.
What is the SMILES notation for 5-pentylbenzimidazol-2-one?
The canonical SMILES for 5-pentylbenzimidazol-2-one is CCCCCc1ccc2c(c1)=NC(=O)N=2.
What is the InChIKey of 5-pentylbenzimidazol-2-one?
The InChIKey is SCFQENHFHAUPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-3-4-5-9-6-7-10-11(8-9)14-12(15)13-10/h6-8H,2-5H2,1H3.
What are the key properties of 5-pentylbenzimidazol-2-one?
5-pentylbenzimidazol-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentylbenzimidazol-2-one is sourced from PubChem (CID 67174843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).