4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine

C11H16FN3 — CID 126607252

IUPAC4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine
SMILESNCCCCc1nc2c([nH]1)CC(F)C=C2
InChIInChI=1S/C11H16FN3/c12-8-4-5-9-10(7-8)15-11(14-9)3-1-2-6-13/h4-5,8H,1-3,6-7,13H2,(H,14,15)
InChIKeyXFIOQEBXCCMWPE-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.60
Rot. Bonds4

About 4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine

4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine (PubChem CID 126607252) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine
PubChem CID126607252
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine
SMILESNCCCCc1nc2c([nH]1)CC(F)C=C2
InChIInChI=1S/C11H16FN3/c12-8-4-5-9-10(7-8)15-11(14-9)3-1-2-6-13/h4-5,8H,1-3,6-7,13H2,(H,14,15)
InChIKeyXFIOQEBXCCMWPE-UHFFFAOYSA-N
XLogP1.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine?
The IUPAC name of 4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine (CID 126607252) is 4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine is NCCCCc1nc2c([nH]1)CC(F)C=C2.
What is the InChIKey of 4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine?
The InChIKey is XFIOQEBXCCMWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c12-8-4-5-9-10(7-8)15-11(14-9)3-1-2-6-13/h4-5,8H,1-3,6-7,13H2,(H,14,15).
What are the key properties of 4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine?
4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine has a molecular weight of 209.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 126607252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).