6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine

C16H22FN3O — CID 43651738

IUPAC6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
SMILESCOc1ccc(-c2cnc(CCCCCCN)[nH]2)cc1F
InChIInChI=1S/C16H22FN3O/c1-21-15-8-7-12(10-13(15)17)14-11-19-16(20-14)6-4-2-3-5-9-18/h7-8,10-11H,2-6,9,18H2,1H3,(H,19,20)
InChIKeyDNLOJBNXKBRHFH-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.29
Rot. Bonds8

About 6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine

6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine (PubChem CID 43651738) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
PubChem CID43651738
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
SMILESCOc1ccc(-c2cnc(CCCCCCN)[nH]2)cc1F
InChIInChI=1S/C16H22FN3O/c1-21-15-8-7-12(10-13(15)17)14-11-19-16(20-14)6-4-2-3-5-9-18/h7-8,10-11H,2-6,9,18H2,1H3,(H,19,20)
InChIKeyDNLOJBNXKBRHFH-UHFFFAOYSA-N
XLogP3.29
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651162
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651783
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650814
2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65233281
N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
CID 63956925
5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650816
2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95469456
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine
CID 83125480
5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
CID 115030164

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine?
The IUPAC name of 6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine (CID 43651738) is 6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine.
What is the SMILES notation for 6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine?
The canonical SMILES for 6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine is COc1ccc(-c2cnc(CCCCCCN)[nH]2)cc1F.
What is the InChIKey of 6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine?
The InChIKey is DNLOJBNXKBRHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-21-15-8-7-12(10-13(15)17)14-11-19-16(20-14)6-4-2-3-5-9-18/h7-8,10-11H,2-6,9,18H2,1H3,(H,19,20).
What are the key properties of 6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine?
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine has a molecular weight of 291.37 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine is sourced from PubChem (CID 43651738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).