4-methoxy-1-pentylbenzimidazol-2-amine

C13H19N3O — CID 113393023

IUPAC4-methoxy-1-pentylbenzimidazol-2-amine
SMILESCCCCCn1c(N)nc2c(OC)cccc21
InChIInChI=1S/C13H19N3O/c1-3-4-5-9-16-10-7-6-8-11(17-2)12(10)15-13(16)14/h6-8H,3-5,9H2,1-2H3,(H2,14,15)
InChIKeyGURCNSWKBJSPQS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.82
Rot. Bonds5

About 4-methoxy-1-pentylbenzimidazol-2-amine

4-methoxy-1-pentylbenzimidazol-2-amine (PubChem CID 113393023) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-methoxy-1-pentylbenzimidazol-2-amine.

Molecular Properties

Compound Name4-methoxy-1-pentylbenzimidazol-2-amine
PubChem CID113393023
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-methoxy-1-pentylbenzimidazol-2-amine
SMILESCCCCCn1c(N)nc2c(OC)cccc21
InChIInChI=1S/C13H19N3O/c1-3-4-5-9-16-10-7-6-8-11(17-2)12(10)15-13(16)14/h6-8H,3-5,9H2,1-2H3,(H2,14,15)
InChIKeyGURCNSWKBJSPQS-UHFFFAOYSA-N
XLogP2.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-methoxy-1-pentylbenzimidazol-2-amine?
The IUPAC name of 4-methoxy-1-pentylbenzimidazol-2-amine (CID 113393023) is 4-methoxy-1-pentylbenzimidazol-2-amine.
What is the SMILES notation for 4-methoxy-1-pentylbenzimidazol-2-amine?
The canonical SMILES for 4-methoxy-1-pentylbenzimidazol-2-amine is CCCCCn1c(N)nc2c(OC)cccc21.
What is the InChIKey of 4-methoxy-1-pentylbenzimidazol-2-amine?
The InChIKey is GURCNSWKBJSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-4-5-9-16-10-7-6-8-11(17-2)12(10)15-13(16)14/h6-8H,3-5,9H2,1-2H3,(H2,14,15).
What are the key properties of 4-methoxy-1-pentylbenzimidazol-2-amine?
4-methoxy-1-pentylbenzimidazol-2-amine has a molecular weight of 233.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-pentylbenzimidazol-2-amine is sourced from PubChem (CID 113393023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).