1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C14H18IN3O — CID 106554234

IUPAC1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1-c1cccc(I)c1
InChIInChI=1S/C14H18IN3O/c1-10-8-18(13-6-4-5-12(15)7-13)14(16-10)17-11(2)9-19-3/h4-8,11H,9H2,1-3H3,(H,16,17)
InChIKeyNFKCPESJVRDYEL-UHFFFAOYSA-N
MW371.22 g/mol
LogP3.23
Rot. Bonds5

About 1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106554234) has the molecular formula C14H18IN3O and a molecular weight of 371.22 g/mol. Its IUPAC name is 1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106554234
Molecular FormulaC14H18IN3O
Molecular Weight371.22 g/mol
Exact Mass371.05
IUPAC Name1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1-c1cccc(I)c1
InChIInChI=1S/C14H18IN3O/c1-10-8-18(13-6-4-5-12(15)7-13)14(16-10)17-11(2)9-19-3/h4-8,11H,9H2,1-3H3,(H,16,17)
InChIKeyNFKCPESJVRDYEL-UHFFFAOYSA-N
XLogP3.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558500
1-(3-fluoro-5-methylphenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106576229
1-(3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106559929
1-(2-fluoro-5-methylphenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106561052
N-(1-methoxypropan-2-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554828
N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine
CID 106554243
N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine
CID 106574831
4-methyl-N-propan-2-yl-1-(3-propan-2-ylphenyl)imidazol-2-amine
CID 106560995
1-[1-(3-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106566703
1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine
CID 106567770
1-[(2-ethylphenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574539
1-[1-(dimethylamino)propan-2-yl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106578638

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106554234) is 1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)Nc1nc(C)cn1-c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is NFKCPESJVRDYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3O/c1-10-8-18(13-6-4-5-12(15)7-13)14(16-10)17-11(2)9-19-3/h4-8,11H,9H2,1-3H3,(H,16,17).
What are the key properties of 1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 371.22 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106554234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).