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

C15H19ClN4O — CID 90644735

IUPAC1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
SMILESCN(C)c1ccc(NC2=NCC(c3ccco3)N2)cc1.Cl
InChIInChI=1S/C15H18N4O.ClH/c1-19(2)12-7-5-11(6-8-12)17-15-16-10-13(18-15)14-4-3-9-20-14;/h3-9,13H,10H2,1-2H3,(H2,16,17,18);1H
InChIKeyUUEFLQROTZFXTN-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.88
Rot. Bonds3

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

1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride (PubChem CID 90644735) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
PubChem CID90644735
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
SMILESCN(C)c1ccc(NC2=NCC(c3ccco3)N2)cc1.Cl
InChIInChI=1S/C15H18N4O.ClH/c1-19(2)12-7-5-11(6-8-12)17-15-16-10-13(18-15)14-4-3-9-20-14;/h3-9,13H,10H2,1-2H3,(H2,16,17,18);1H
InChIKeyUUEFLQROTZFXTN-UHFFFAOYSA-N
XLogP2.88
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride?
The IUPAC name of 1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride (CID 90644735) is 1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride?
The canonical SMILES for 1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride is CN(C)c1ccc(NC2=NCC(c3ccco3)N2)cc1.Cl.
What is the InChIKey of 1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride?
The InChIKey is UUEFLQROTZFXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c1-19(2)12-7-5-11(6-8-12)17-15-16-10-13(18-15)14-4-3-9-20-14;/h3-9,13H,10H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride?
1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(furan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 90644735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).