2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline

C16H16FN3 — CID 63187871

IUPAC2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
SMILESCCCn1c(-c2ccc(N)c(F)c2)nc2ccccc21
InChIInChI=1S/C16H16FN3/c1-2-9-20-15-6-4-3-5-14(15)19-16(20)11-7-8-13(18)12(17)10-11/h3-8,10H,2,9,18H2,1H3
InChIKeyUHDOSULPGKJGNI-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.83
Rot. Bonds3

About 2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline

2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline (PubChem CID 63187871) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
PubChem CID63187871
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
SMILESCCCn1c(-c2ccc(N)c(F)c2)nc2ccccc21
InChIInChI=1S/C16H16FN3/c1-2-9-20-15-6-4-3-5-14(15)19-16(20)11-7-8-13(18)12(17)10-11/h3-8,10H,2,9,18H2,1H3
InChIKeyUHDOSULPGKJGNI-UHFFFAOYSA-N
XLogP3.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.83
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 2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline?
The IUPAC name of 2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline (CID 63187871) is 2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline?
The canonical SMILES for 2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline is CCCn1c(-c2ccc(N)c(F)c2)nc2ccccc21.
What is the InChIKey of 2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline?
The InChIKey is UHDOSULPGKJGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-2-9-20-15-6-4-3-5-14(15)19-16(20)11-7-8-13(18)12(17)10-11/h3-8,10H,2,9,18H2,1H3.
What are the key properties of 2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline?
2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline has a molecular weight of 269.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 63187871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).