1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride

C15H19ClN4O — CID 90644739

IUPAC1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride
SMILESCCNc1ccc(NC2=NCC(c3ccco3)N2)cc1.Cl
InChIInChI=1S/C15H18N4O.ClH/c1-2-16-11-5-7-12(8-6-11)18-15-17-10-13(19-15)14-4-3-9-20-14;/h3-9,13,16H,2,10H2,1H3,(H2,17,18,19);1H
InChIKeyWERYBTQUCQUDCE-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.25
Rot. Bonds4

About 1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride

1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride (PubChem CID 90644739) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride
PubChem CID90644739
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride
SMILESCCNc1ccc(NC2=NCC(c3ccco3)N2)cc1.Cl
InChIInChI=1S/C15H18N4O.ClH/c1-2-16-11-5-7-12(8-6-11)18-15-17-10-13(19-15)14-4-3-9-20-14;/h3-9,13,16H,2,10H2,1H3,(H2,17,18,19);1H
InChIKeyWERYBTQUCQUDCE-UHFFFAOYSA-N
XLogP3.25
TPSA61.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride?
The IUPAC name of 1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride (CID 90644739) is 1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride?
The canonical SMILES for 1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride is CCNc1ccc(NC2=NCC(c3ccco3)N2)cc1.Cl.
What is the InChIKey of 1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride?
The InChIKey is WERYBTQUCQUDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c1-2-16-11-5-7-12(8-6-11)18-15-17-10-13(19-15)14-4-3-9-20-14;/h3-9,13,16H,2,10H2,1H3,(H2,17,18,19);1H.
What are the key properties of 1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride?
1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 90644739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).