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

C14H19N3O — CID 116876810

IUPAC2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
SMILESCOc1cccc(-c2cnc(C(C)(C)CN)[nH]2)c1
InChIInChI=1S/C14H19N3O/c1-14(2,9-15)13-16-8-12(17-13)10-5-4-6-11(7-10)18-3/h4-8H,9,15H2,1-3H3,(H,16,17)
InChIKeyJFYORIHXIRFDGQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.32
Rot. Bonds4

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

2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine (PubChem CID 116876810) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
PubChem CID116876810
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
SMILESCOc1cccc(-c2cnc(C(C)(C)CN)[nH]2)c1
InChIInChI=1S/C14H19N3O/c1-14(2,9-15)13-16-8-12(17-13)10-5-4-6-11(7-10)18-3/h4-8H,9,15H2,1-3H3,(H,16,17)
InChIKeyJFYORIHXIRFDGQ-UHFFFAOYSA-N
XLogP2.32
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine
CID 60846812
6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651783
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879358
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230758
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61030336
3-methyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)butan-1-amine
CID 116877166
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
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851877

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine (CID 116876810) is 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine is COc1cccc(-c2cnc(C(C)(C)CN)[nH]2)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is JFYORIHXIRFDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,9-15)13-16-8-12(17-13)10-5-4-6-11(7-10)18-3/h4-8H,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.32, 4 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]-2-methylpropan-1-amine is sourced from PubChem (CID 116876810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).