N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine

C13H16IN3O — CID 106554175

IUPACN-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1Nc1ccc(I)cc1
InChIInChI=1S/C13H16IN3O/c1-18-10-2-8-17-9-7-15-13(17)16-12-5-3-11(14)4-6-12/h3-7,9H,2,8,10H2,1H3,(H,15,16)
InChIKeySVUHEHADSDQHIY-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.27
Rot. Bonds6

About N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine

N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106554175) has the molecular formula C13H16IN3O and a molecular weight of 357.20 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine
PubChem CID106554175
Molecular FormulaC13H16IN3O
Molecular Weight357.20 g/mol
Exact Mass357.03
IUPAC NameN-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1Nc1ccc(I)cc1
InChIInChI=1S/C13H16IN3O/c1-18-10-2-8-17-9-7-15-13(17)16-12-5-3-11(14)4-6-12/h3-7,9H,2,8,10H2,1H3,(H,15,16)
InChIKeySVUHEHADSDQHIY-UHFFFAOYSA-N
XLogP3.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine
CID 106569649
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104
5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine
CID 114254404
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine
CID 106554163
N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106560415
N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106576265
N-(2-fluoro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106581649
N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106557048
N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106563995
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 106559873

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine (CID 106554175) is N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine is COCCCn1ccnc1Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is SVUHEHADSDQHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3O/c1-18-10-2-8-17-9-7-15-13(17)16-12-5-3-11(14)4-6-12/h3-7,9H,2,8,10H2,1H3,(H,15,16).
What are the key properties of N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine?
N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 357.20 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106554175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).