1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride

C18H20ClN3O — CID 45264986

IUPAC1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1cccc(-c2cccc(NC3=NCCN3)c2C)c1.Cl
InChIInChI=1S/C18H19N3O.ClH/c1-12-16(15-6-3-5-14(11-15)13(2)22)7-4-8-17(12)21-18-19-9-10-20-18;/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21);1H
InChIKeyAZQGIDYWQSGYHQ-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.66
Rot. Bonds3

About 1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride

1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride (PubChem CID 45264986) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride
PubChem CID45264986
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1cccc(-c2cccc(NC3=NCCN3)c2C)c1.Cl
InChIInChI=1S/C18H19N3O.ClH/c1-12-16(15-6-3-5-14(11-15)13(2)22)7-4-8-17(12)21-18-19-9-10-20-18;/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21);1H
InChIKeyAZQGIDYWQSGYHQ-UHFFFAOYSA-N
XLogP3.66
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride (CID 45264986) is 1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride is CC(=O)c1cccc(-c2cccc(NC3=NCCN3)c2C)c1.Cl.
What is the InChIKey of 1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride?
The InChIKey is AZQGIDYWQSGYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O.ClH/c1-12-16(15-6-3-5-14(11-15)13(2)22)7-4-8-17(12)21-18-19-9-10-20-18;/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride?
1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylphenyl]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 45264986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).