N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C15H18ClN3O2 — CID 90644733

IUPACN-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCCOc1ccc(NC2=NCC(c3ccco3)N2)cc1.Cl
InChIInChI=1S/C15H17N3O2.ClH/c1-2-19-12-7-5-11(6-8-12)17-15-16-10-13(18-15)14-4-3-9-20-14;/h3-9,13H,2,10H2,1H3,(H2,16,17,18);1H
InChIKeyHRGUXTJNVDIPQL-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.21
Rot. Bonds4

About N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 90644733) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID90644733
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCCOc1ccc(NC2=NCC(c3ccco3)N2)cc1.Cl
InChIInChI=1S/C15H17N3O2.ClH/c1-2-19-12-7-5-11(6-8-12)17-15-16-10-13(18-15)14-4-3-9-20-14;/h3-9,13H,2,10H2,1H3,(H2,16,17,18);1H
InChIKeyHRGUXTJNVDIPQL-UHFFFAOYSA-N
XLogP3.21
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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6-Chloro-N-furan-2-ylmethyl-N'-(4-methoxy-phenyl)-[1,3,5]triazine-2,4-diamine
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CID 759714
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N-(2-furylmethyl)-N'-[4-(trifluoromethoxy)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 90644733) is N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is CCOc1ccc(NC2=NCC(c3ccco3)N2)cc1.Cl.
What is the InChIKey of N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is HRGUXTJNVDIPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.ClH/c1-2-19-12-7-5-11(6-8-12)17-15-16-10-13(18-15)14-4-3-9-20-14;/h3-9,13H,2,10H2,1H3,(H2,16,17,18);1H.
What are the key properties of N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 307.78 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 90644733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).