4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride

C9H13Cl2N3 — CID 131857120

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C9H11N3.2ClH/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;;/h1-4H,5-6,10H2,(H,11,12);2*1H
InChIKeyPWIYOLWKYDFWLF-UHFFFAOYSA-N
MW234.13 g/mol
LogP1.46
Rot. Bonds1

About 4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride

4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride (PubChem CID 131857120) has the molecular formula C9H13Cl2N3 and a molecular weight of 234.13 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride
PubChem CID131857120
Molecular FormulaC9H13Cl2N3
Molecular Weight234.13 g/mol
Exact Mass233.05
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C9H11N3.2ClH/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;;/h1-4H,5-6,10H2,(H,11,12);2*1H
InChIKeyPWIYOLWKYDFWLF-UHFFFAOYSA-N
XLogP1.46
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]aniline;hydrate;hydrochloride
CID 118713163
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 71747659
5-amino-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 131880619
3-bromo-5-(4,5-dihydro-1H-imidazol-2-yl)aniline;hydrochloride
CID 2954440
2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 54602799
2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 51041954
2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole
CID 126982323
2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 162469328
2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
CID 158320426
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
CID 11769428
2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide
CID 110460893
2-(4-naphthalen-1-ylphenyl)-4,5-dihydro-1H-imidazole
CID 10221130

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride (CID 131857120) is 4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride is Cl.Cl.Nc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride?
The InChIKey is PWIYOLWKYDFWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.2ClH/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;;/h1-4H,5-6,10H2,(H,11,12);2*1H.
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride?
4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride has a molecular weight of 234.13 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride is sourced from PubChem (CID 131857120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).