4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride

C15H22ClN3O — CID 162666747

IUPAC4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2ccccc2OC)nc1N.Cl
InChIInChI=1S/C15H21N3O.ClH/c1-3-4-7-10-18-11-13(17-15(18)16)12-8-5-6-9-14(12)19-2;/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,16,17);1H
InChIKeyMWIQEKDAWKHAPT-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.75
Rot. Bonds6

About 4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride

4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride (PubChem CID 162666747) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride
PubChem CID162666747
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2ccccc2OC)nc1N.Cl
InChIInChI=1S/C15H21N3O.ClH/c1-3-4-7-10-18-11-13(17-15(18)16)12-8-5-6-9-14(12)19-2;/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,16,17);1H
InChIKeyMWIQEKDAWKHAPT-UHFFFAOYSA-N
XLogP3.75
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride?
The IUPAC name of 4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride (CID 162666747) is 4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride?
The canonical SMILES for 4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride is CCCCCn1cc(-c2ccccc2OC)nc1N.Cl.
What is the InChIKey of 4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride?
The InChIKey is MWIQEKDAWKHAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.ClH/c1-3-4-7-10-18-11-13(17-15(18)16)12-8-5-6-9-14(12)19-2;/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,16,17);1H.
What are the key properties of 4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride?
4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride is sourced from PubChem (CID 162666747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).