5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline

C18H20FN3 — CID 82332135

IUPAC5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
SMILESCCCCn1c(-c2ccc(C)c(N)c2)nc2cc(F)ccc21
InChIInChI=1S/C18H20FN3/c1-3-4-9-22-17-8-7-14(19)11-16(17)21-18(22)13-6-5-12(2)15(20)10-13/h5-8,10-11H,3-4,9,20H2,1-2H3
InChIKeyNCAXGHRZYFPDGO-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.53
Rot. Bonds4

About 5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline

5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline (PubChem CID 82332135) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
PubChem CID82332135
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
SMILESCCCCn1c(-c2ccc(C)c(N)c2)nc2cc(F)ccc21
InChIInChI=1S/C18H20FN3/c1-3-4-9-22-17-8-7-14(19)11-16(17)21-18(22)13-6-5-12(2)15(20)10-13/h5-8,10-11H,3-4,9,20H2,1-2H3
InChIKeyNCAXGHRZYFPDGO-UHFFFAOYSA-N
XLogP4.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline?
The IUPAC name of 5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline (CID 82332135) is 5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline?
The canonical SMILES for 5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline is CCCCn1c(-c2ccc(C)c(N)c2)nc2cc(F)ccc21.
What is the InChIKey of 5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline?
The InChIKey is NCAXGHRZYFPDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-3-4-9-22-17-8-7-14(19)11-16(17)21-18(22)13-6-5-12(2)15(20)10-13/h5-8,10-11H,3-4,9,20H2,1-2H3.
What are the key properties of 5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline?
5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline has a molecular weight of 297.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline is sourced from PubChem (CID 82332135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).