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

C15H21N3O — CID 60846812

IUPAC2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine
SMILESCCCC(C)(N)c1ncc(-c2cccc(OC)c2)[nH]1
InChIInChI=1S/C15H21N3O/c1-4-8-15(2,16)14-17-10-13(18-14)11-6-5-7-12(9-11)19-3/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyWZNDSAAHWWSDAP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.06
Rot. Bonds5

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

2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine (PubChem CID 60846812) 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-2-amine.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine
PubChem CID60846812
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine
SMILESCCCC(C)(N)c1ncc(-c2cccc(OC)c2)[nH]1
InChIInChI=1S/C15H21N3O/c1-4-8-15(2,16)14-17-10-13(18-14)11-6-5-7-12(9-11)19-3/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyWZNDSAAHWWSDAP-UHFFFAOYSA-N
XLogP3.06
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine
CID 60847502
2-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentan-2-amine
CID 60849093
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116876810
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230758
2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine
CID 60848912
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879358
6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651783
4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61030336
2-(1H-imidazol-2-yl)-5-(3-methoxyphenyl)-1H-imidazole
CID 19696853
2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881507

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine?
The IUPAC name of 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine (CID 60846812) is 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine?
The canonical SMILES for 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine is CCCC(C)(N)c1ncc(-c2cccc(OC)c2)[nH]1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine?
The InChIKey is WZNDSAAHWWSDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-8-15(2,16)14-17-10-13(18-14)11-6-5-7-12(9-11)19-3/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine?
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 3.06, 5 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-2-amine is sourced from PubChem (CID 60846812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).