2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine

C16H16FN3 — CID 82067863

IUPAC2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine
SMILESCC(C)n1c(-c2ccccc2F)nc2c(N)cccc21
InChIInChI=1S/C16H16FN3/c1-10(2)20-14-9-5-8-13(18)15(14)19-16(20)11-6-3-4-7-12(11)17/h3-10H,18H2,1-2H3
InChIKeyCRNRYORDWQTHAE-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.01
Rot. Bonds2

About 2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine

2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine (PubChem CID 82067863) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine
PubChem CID82067863
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine
SMILESCC(C)n1c(-c2ccccc2F)nc2c(N)cccc21
InChIInChI=1S/C16H16FN3/c1-10(2)20-14-9-5-8-13(18)15(14)19-16(20)11-6-3-4-7-12(11)17/h3-10H,18H2,1-2H3
InChIKeyCRNRYORDWQTHAE-UHFFFAOYSA-N
XLogP4.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.01
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-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
CID 60785236
1-propan-2-ylbenzimidazole-2,4-diamine
CID 84771598
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-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783997
2-amino-6-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136712542
2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine
CID 84777995
2-benzyl-1-propan-2-ylbenzimidazol-4-amine
CID 82068006
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62946745
2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136712554
3-(2-fluorophenyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 978073

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine (CID 82067863) is 2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine is CC(C)n1c(-c2ccccc2F)nc2c(N)cccc21.
What is the InChIKey of 2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine?
The InChIKey is CRNRYORDWQTHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-10(2)20-14-9-5-8-13(18)15(14)19-16(20)11-6-3-4-7-12(11)17/h3-10H,18H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine?
2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine has a molecular weight of 269.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine is sourced from PubChem (CID 82067863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).