2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline

C17H18FN3 — CID 60785236

IUPAC2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
SMILESCc1cccc(-c2nc3c(F)cccc3n2C(C)C)c1N
InChIInChI=1S/C17H18FN3/c1-10(2)21-14-9-5-8-13(18)16(14)20-17(21)12-7-4-6-11(3)15(12)19/h4-10H,19H2,1-3H3
InChIKeyVNRPUZLVRPDPFV-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.31
Rot. Bonds2

About 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline

2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline (PubChem CID 60785236) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline.

Molecular Properties

Compound Name2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
PubChem CID60785236
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
SMILESCc1cccc(-c2nc3c(F)cccc3n2C(C)C)c1N
InChIInChI=1S/C17H18FN3/c1-10(2)21-14-9-5-8-13(18)16(14)20-17(21)12-7-4-6-11(3)15(12)19/h4-10H,19H2,1-3H3
InChIKeyVNRPUZLVRPDPFV-UHFFFAOYSA-N
XLogP4.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62947060
2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine
CID 82067863
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline
CID 60785396
3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751576
4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 137011251
2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
CID 60783324
2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783997
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 60785241
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
CID 177073307
2-bromo-6-(1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63112784
2-amino-1-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 66165047
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline?
The IUPAC name of 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline (CID 60785236) is 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline.
What is the SMILES notation for 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline?
The canonical SMILES for 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline is Cc1cccc(-c2nc3c(F)cccc3n2C(C)C)c1N.
What is the InChIKey of 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline?
The InChIKey is VNRPUZLVRPDPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-10(2)21-14-9-5-8-13(18)16(14)20-17(21)12-7-4-6-11(3)15(12)19/h4-10H,19H2,1-3H3.
What are the key properties of 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline?
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline has a molecular weight of 283.35 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline is sourced from PubChem (CID 60785236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).