2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine

C16H23N3O2 — CID 65233468

IUPAC2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCC(CN)c1ncc(-c2cc(OC)ccc2OC)[nH]1
InChIInChI=1S/C16H23N3O2/c1-4-5-11(9-17)16-18-10-14(19-16)13-8-12(20-2)6-7-15(13)21-3/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,19)
InChIKeyCJXPUYRKOPAPJT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.94
Rot. Bonds7

About 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine

2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 65233468) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
PubChem CID65233468
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCC(CN)c1ncc(-c2cc(OC)ccc2OC)[nH]1
InChIInChI=1S/C16H23N3O2/c1-4-5-11(9-17)16-18-10-14(19-16)13-8-12(20-2)6-7-15(13)21-3/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,19)
InChIKeyCJXPUYRKOPAPJT-UHFFFAOYSA-N
XLogP2.94
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230758
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876649
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65459802
1-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43649844
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882865
2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine
CID 65230757
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61364707
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047445
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882773

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine (CID 65233468) is 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine is CCCC(CN)c1ncc(-c2cc(OC)ccc2OC)[nH]1.
What is the InChIKey of 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is CJXPUYRKOPAPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-5-11(9-17)16-18-10-14(19-16)13-8-12(20-2)6-7-15(13)21-3/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine?
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 65233468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).