N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine

C14H18IN3 — CID 106554218

IUPACN-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2cccc(I)c2)n1
InChIInChI=1S/C14H18IN3/c1-10(2)8-18-9-11(3)16-14(18)17-13-6-4-5-12(15)7-13/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyWXTMLZYVLDBLMM-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.20
Rot. Bonds4

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

N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106554218) has the molecular formula C14H18IN3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106554218
Molecular FormulaC14H18IN3
Molecular Weight355.22 g/mol
Exact Mass355.05
IUPAC NameN-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2cccc(I)c2)n1
InChIInChI=1S/C14H18IN3/c1-10(2)8-18-9-11(3)16-14(18)17-13-6-4-5-12(15)7-13/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyWXTMLZYVLDBLMM-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106558695
4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine
CID 106570791
N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 107581439
5-methyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]pyridin-3-amine
CID 107587276
4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106557107
N-(5-bromo-2-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106562857
4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
CID 106572165
N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106578785
N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106580603
N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106574063
N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554114
4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine
CID 106563183

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine (CID 106554218) is N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine is Cc1cn(CC(C)C)c(Nc2cccc(I)c2)n1.
What is the InChIKey of N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is WXTMLZYVLDBLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3/c1-10(2)8-18-9-11(3)16-14(18)17-13-6-4-5-12(15)7-13/h4-7,9-10H,8H2,1-3H3,(H,16,17).
What are the key properties of N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 355.22 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106554218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).