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

C16H16ClN3O — CID 24800857

IUPAC[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1)c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C16H15N3O.ClH/c20-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)19-16-17-10-11-18-16;/h1-9H,10-11H2,(H2,17,18,19);1H
InChIKeyIOLYKNBFTOWNML-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.71
Rot. Bonds3

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

[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride (PubChem CID 24800857) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is [4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride
PubChem CID24800857
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1)c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C16H15N3O.ClH/c20-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)19-16-17-10-11-18-16;/h1-9H,10-11H2,(H2,17,18,19);1H
InChIKeyIOLYKNBFTOWNML-UHFFFAOYSA-N
XLogP2.71
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride?
The IUPAC name of [4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride (CID 24800857) is [4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride?
The canonical SMILES for [4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride is Cl.O=C(c1ccccc1)c1ccc(NC2=NCCN2)cc1.
What is the InChIKey of [4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride?
The InChIKey is IOLYKNBFTOWNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O.ClH/c20-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)19-16-17-10-11-18-16;/h1-9H,10-11H2,(H2,17,18,19);1H.
What are the key properties of [4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride?
[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride has a molecular weight of 301.78 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 24800857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).