N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride

C16H16ClN5 — CID 24882008

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride
SMILESCl.c1ccc(-c2nn(NC3=NCCN3)c3ccccc23)cc1
InChIInChI=1S/C16H15N5.ClH/c1-2-6-12(7-3-1)15-13-8-4-5-9-14(13)21(19-15)20-16-17-10-11-18-16;/h1-9H,10-11H2,(H2,17,18,20);1H
InChIKeySASSLADVYYREFK-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.63
Rot. Bonds2

About N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride

N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride (PubChem CID 24882008) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride
PubChem CID24882008
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride
SMILESCl.c1ccc(-c2nn(NC3=NCCN3)c3ccccc23)cc1
InChIInChI=1S/C16H15N5.ClH/c1-2-6-12(7-3-1)15-13-8-4-5-9-14(13)21(19-15)20-16-17-10-11-18-16;/h1-9H,10-11H2,(H2,17,18,20);1H
InChIKeySASSLADVYYREFK-UHFFFAOYSA-N
XLogP2.63
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride (CID 24882008) is N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride is Cl.c1ccc(-c2nn(NC3=NCCN3)c3ccccc23)cc1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride?
The InChIKey is SASSLADVYYREFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5.ClH/c1-2-6-12(7-3-1)15-13-8-4-5-9-14(13)21(19-15)20-16-17-10-11-18-16;/h1-9H,10-11H2,(H2,17,18,20);1H.
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride?
N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-3-phenylindazol-1-amine;hydrochloride is sourced from PubChem (CID 24882008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).