5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline

C16H16FN3O — CID 63743435

IUPAC5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
SMILESCCn1c(-c2ccc(OC)c(N)c2)nc2cc(F)ccc21
InChIInChI=1S/C16H16FN3O/c1-3-20-14-6-5-11(17)9-13(14)19-16(20)10-4-7-15(21-2)12(18)8-10/h4-9H,3,18H2,1-2H3
InChIKeyMUROZNUGTDQMSN-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.45
Rot. Bonds3

About 5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline

5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline (PubChem CID 63743435) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
PubChem CID63743435
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
SMILESCCn1c(-c2ccc(OC)c(N)c2)nc2cc(F)ccc21
InChIInChI=1S/C16H16FN3O/c1-3-20-14-6-5-11(17)9-13(14)19-16(20)10-4-7-15(21-2)12(18)8-10/h4-9H,3,18H2,1-2H3
InChIKeyMUROZNUGTDQMSN-UHFFFAOYSA-N
XLogP3.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.45
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 5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline?
The IUPAC name of 5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline (CID 63743435) is 5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline.
What is the SMILES notation for 5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline?
The canonical SMILES for 5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline is CCn1c(-c2ccc(OC)c(N)c2)nc2cc(F)ccc21.
What is the InChIKey of 5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline?
The InChIKey is MUROZNUGTDQMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-3-20-14-6-5-11(17)9-13(14)19-16(20)10-4-7-15(21-2)12(18)8-10/h4-9H,3,18H2,1-2H3.
What are the key properties of 5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline?
5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline has a molecular weight of 285.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline is sourced from PubChem (CID 63743435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).