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

C15H21N3O — CID 65230758

IUPAC2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCC(CN)c1ncc(-c2cccc(OC)c2)[nH]1
InChIInChI=1S/C15H21N3O/c1-3-5-12(9-16)15-17-10-14(18-15)11-6-4-7-13(8-11)19-2/h4,6-8,10,12H,3,5,9,16H2,1-2H3,(H,17,18)
InChIKeyBUJOWQHLTALPRW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.93
Rot. Bonds6

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

2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 65230758) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
PubChem CID65230758
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCC(CN)c1ncc(-c2cccc(OC)c2)[nH]1
InChIInChI=1S/C15H21N3O/c1-3-5-12(9-16)15-17-10-14(18-15)11-6-4-7-13(8-11)19-2/h4,6-8,10,12H,3,5,9,16H2,1-2H3,(H,17,18)
InChIKeyBUJOWQHLTALPRW-UHFFFAOYSA-N
XLogP2.93
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine
CID 65230757
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65233468
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230425
2-[5-(3-bromophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 65232744
2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881507
2-(5-phenyl-1H-imidazol-2-yl)butan-1-amine
CID 65233105
6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651783
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116876810
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine
CID 60846812
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879358
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine (CID 65230758) is 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine is CCCC(CN)c1ncc(-c2cccc(OC)c2)[nH]1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is BUJOWQHLTALPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-5-12(9-16)15-17-10-14(18-15)11-6-4-7-13(8-11)19-2/h4,6-8,10,12H,3,5,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine?
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 65230758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).