2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline

C17H19N3O — CID 115411306

IUPAC2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline
SMILESCCn1c(-c2cc(OC)ccc2N)nc2cc(C)ccc21
InChIInChI=1S/C17H19N3O/c1-4-20-16-8-5-11(2)9-15(16)19-17(20)13-10-12(21-3)6-7-14(13)18/h5-10H,4,18H2,1-3H3
InChIKeyFVZHZCISRDSKBZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds3

About 2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline

2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline (PubChem CID 115411306) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline
PubChem CID115411306
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline
SMILESCCn1c(-c2cc(OC)ccc2N)nc2cc(C)ccc21
InChIInChI=1S/C17H19N3O/c1-4-20-16-8-5-11(2)9-15(16)19-17(20)13-10-12(21-3)6-7-14(13)18/h5-10H,4,18H2,1-3H3
InChIKeyFVZHZCISRDSKBZ-UHFFFAOYSA-N
XLogP3.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline?
The IUPAC name of 2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline (CID 115411306) is 2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline.
What is the SMILES notation for 2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline?
The canonical SMILES for 2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline is CCn1c(-c2cc(OC)ccc2N)nc2cc(C)ccc21.
What is the InChIKey of 2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline?
The InChIKey is FVZHZCISRDSKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-20-16-8-5-11(2)9-15(16)19-17(20)13-10-12(21-3)6-7-14(13)18/h5-10H,4,18H2,1-3H3.
What are the key properties of 2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline?
2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline has a molecular weight of 281.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline is sourced from PubChem (CID 115411306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).