N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C9H12ClN3 — CID 52942945

IUPACN-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C9H11N3.ClH/c1-2-4-8(5-3-1)12-9-10-6-7-11-9;/h1-5H,6-7H2,(H2,10,11,12);1H
InChIKeyPFRNBEPKERESDS-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.48
Rot. Bonds1

About N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 52942945) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID52942945
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC NameN-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C9H11N3.ClH/c1-2-4-8(5-3-1)12-9-10-6-7-11-9;/h1-5H,6-7H2,(H2,10,11,12);1H
InChIKeyPFRNBEPKERESDS-UHFFFAOYSA-N
XLogP1.48
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 52942945) is N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.c1ccc(NC2=NCCN2)cc1.
What is the InChIKey of N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is PFRNBEPKERESDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.ClH/c1-2-4-8(5-3-1)12-9-10-6-7-11-9;/h1-5H,6-7H2,(H2,10,11,12);1H.
What are the key properties of N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 197.67 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 52942945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).