6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine

C15H20BrN3 — CID 43651769

IUPAC6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine
SMILESNCCCCCCc1ncc(-c2ccccc2Br)[nH]1
InChIInChI=1S/C15H20BrN3/c16-13-8-5-4-7-12(13)14-11-18-15(19-14)9-3-1-2-6-10-17/h4-5,7-8,11H,1-3,6,9-10,17H2,(H,18,19)
InChIKeyQYMPNMHYDYDMHS-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.90
Rot. Bonds7

About 6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine

6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine (PubChem CID 43651769) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine
PubChem CID43651769
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine
SMILESNCCCCCCc1ncc(-c2ccccc2Br)[nH]1
InChIInChI=1S/C15H20BrN3/c16-13-8-5-4-7-12(13)14-11-18-15(19-14)9-3-1-2-6-10-17/h4-5,7-8,11H,1-3,6,9-10,17H2,(H,18,19)
InChIKeyQYMPNMHYDYDMHS-UHFFFAOYSA-N
XLogP3.90
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.90
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 6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine?
The IUPAC name of 6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine (CID 43651769) is 6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine.
What is the SMILES notation for 6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine?
The canonical SMILES for 6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine is NCCCCCCc1ncc(-c2ccccc2Br)[nH]1.
What is the InChIKey of 6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine?
The InChIKey is QYMPNMHYDYDMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c16-13-8-5-4-7-12(13)14-11-18-15(19-14)9-3-1-2-6-10-17/h4-5,7-8,11H,1-3,6,9-10,17H2,(H,18,19).
What are the key properties of 6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine?
6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine is sourced from PubChem (CID 43651769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).