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

C16H23N3O — CID 43651783

IUPAC6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
SMILESCOc1cccc(-c2cnc(CCCCCCN)[nH]2)c1
InChIInChI=1S/C16H23N3O/c1-20-14-8-6-7-13(11-14)15-12-18-16(19-15)9-4-2-3-5-10-17/h6-8,11-12H,2-5,9-10,17H2,1H3,(H,18,19)
InChIKeyDOGBZJYWTOCQPK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds8

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

6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine (PubChem CID 43651783) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
PubChem CID43651783
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
SMILESCOc1cccc(-c2cnc(CCCCCCN)[nH]2)c1
InChIInChI=1S/C16H23N3O/c1-20-14-8-6-7-13(11-14)15-12-18-16(19-15)9-4-2-3-5-10-17/h6-8,11-12H,2-5,9-10,17H2,1H3,(H,18,19)
InChIKeyDOGBZJYWTOCQPK-UHFFFAOYSA-N
XLogP3.15
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
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

2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879358
3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851877
5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738
5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651162
4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61030336
7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide
CID 90149185
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116876810
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230758
3-(2-butyl-1H-imidazol-5-yl)aniline
CID 173009112

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine?
The IUPAC name of 6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine (CID 43651783) is 6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine.
What is the SMILES notation for 6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine?
The canonical SMILES for 6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine is COc1cccc(-c2cnc(CCCCCCN)[nH]2)c1.
What is the InChIKey of 6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine?
The InChIKey is DOGBZJYWTOCQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-20-14-8-6-7-13(11-14)15-12-18-16(19-15)9-4-2-3-5-10-17/h6-8,11-12H,2-5,9-10,17H2,1H3,(H,18,19).
What are the key properties of 6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine?
6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine is sourced from PubChem (CID 43651783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).