4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline

C15H15N3O2 — CID 65017728

IUPAC4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
SMILESCOc1ccc2nc(COc3ccc(N)cc3)[nH]c2c1
InChIInChI=1S/C15H15N3O2/c1-19-12-6-7-13-14(8-12)18-15(17-13)9-20-11-4-2-10(16)3-5-11/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyPXBBYCUHAHQKOK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.73
Rot. Bonds4

About 4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline

4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline (PubChem CID 65017728) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline.

Molecular Properties

Compound Name4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
PubChem CID65017728
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
SMILESCOc1ccc2nc(COc3ccc(N)cc3)[nH]c2c1
InChIInChI=1S/C15H15N3O2/c1-19-12-6-7-13-14(8-12)18-15(17-13)9-20-11-4-2-10(16)3-5-11/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyPXBBYCUHAHQKOK-UHFFFAOYSA-N
XLogP2.73
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline?
The IUPAC name of 4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline (CID 65017728) is 4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline.
What is the SMILES notation for 4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline?
The canonical SMILES for 4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline is COc1ccc2nc(COc3ccc(N)cc3)[nH]c2c1.
What is the InChIKey of 4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline?
The InChIKey is PXBBYCUHAHQKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-19-12-6-7-13-14(8-12)18-15(17-13)9-20-11-4-2-10(16)3-5-11/h2-8H,9,16H2,1H3,(H,17,18).
What are the key properties of 4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline?
4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline has a molecular weight of 269.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline is sourced from PubChem (CID 65017728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).