N-(3-iodophenyl)-1H-imidazol-2-amine

C9H8IN3 — CID 106554225

IUPACN-(3-iodophenyl)-1H-imidazol-2-amine
SMILESIc1cccc(Nc2ncc[nH]2)c1
InChIInChI=1S/C9H8IN3/c10-7-2-1-3-8(6-7)13-9-11-4-5-12-9/h1-6H,(H2,11,12,13)
InChIKeyQNPZVRIINJJYRD-UHFFFAOYSA-N
MW285.09 g/mol
LogP2.76
Rot. Bonds2

About N-(3-iodophenyl)-1H-imidazol-2-amine

N-(3-iodophenyl)-1H-imidazol-2-amine (PubChem CID 106554225) has the molecular formula C9H8IN3 and a molecular weight of 285.09 g/mol. Its IUPAC name is N-(3-iodophenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3-iodophenyl)-1H-imidazol-2-amine
PubChem CID106554225
Molecular FormulaC9H8IN3
Molecular Weight285.09 g/mol
Exact Mass284.98
IUPAC NameN-(3-iodophenyl)-1H-imidazol-2-amine
SMILESIc1cccc(Nc2ncc[nH]2)c1
InChIInChI=1S/C9H8IN3/c10-7-2-1-3-8(6-7)13-9-11-4-5-12-9/h1-6H,(H2,11,12,13)
InChIKeyQNPZVRIINJJYRD-UHFFFAOYSA-N
XLogP2.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-1H-imidazol-2-amine
CID 83695842
N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine
CID 106576619
5-chloro-4-(3-iodoanilino)-1H-pyrimidin-6-one
CID 136970545
N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine
CID 106573908
3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine
CID 106876477
5-chloro-N-(3-iodophenyl)pyridin-2-amine
CID 66220543
N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine
CID 106576399
N-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine
CID 107581374
3-iodo-N-methylaniline
CID 11075306
6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine
CID 80763596
3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine
CID 29067112
6-chloro-N-(3-iodophenyl)pyridazin-3-amine
CID 43090226

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-1H-imidazol-2-amine?
The IUPAC name of N-(3-iodophenyl)-1H-imidazol-2-amine (CID 106554225) is N-(3-iodophenyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(3-iodophenyl)-1H-imidazol-2-amine?
The canonical SMILES for N-(3-iodophenyl)-1H-imidazol-2-amine is Ic1cccc(Nc2ncc[nH]2)c1.
What is the InChIKey of N-(3-iodophenyl)-1H-imidazol-2-amine?
The InChIKey is QNPZVRIINJJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3/c10-7-2-1-3-8(6-7)13-9-11-4-5-12-9/h1-6H,(H2,11,12,13).
What are the key properties of N-(3-iodophenyl)-1H-imidazol-2-amine?
N-(3-iodophenyl)-1H-imidazol-2-amine has a molecular weight of 285.09 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 106554225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).