N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine

C18H19N3O — CID 1096451

IUPACN-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
SMILESCOc1cccc(CNc2ncc(-c3ccccc3)n2C)c1
InChIInChI=1S/C18H19N3O/c1-21-17(15-8-4-3-5-9-15)13-20-18(21)19-12-14-7-6-10-16(11-14)22-2/h3-11,13H,12H2,1-2H3,(H,19,20)
InChIKeyBARPEIVVCNYBIT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.71
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine

N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine (PubChem CID 1096451) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
PubChem CID1096451
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
SMILESCOc1cccc(CNc2ncc(-c3ccccc3)n2C)c1
InChIInChI=1S/C18H19N3O/c1-21-17(15-8-4-3-5-9-15)13-20-18(21)19-12-14-7-6-10-16(11-14)22-2/h3-11,13H,12H2,1-2H3,(H,19,20)
InChIKeyBARPEIVVCNYBIT-UHFFFAOYSA-N
XLogP3.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine (CID 1096451) is N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine is COc1cccc(CNc2ncc(-c3ccccc3)n2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine?
The InChIKey is BARPEIVVCNYBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21-17(15-8-4-3-5-9-15)13-20-18(21)19-12-14-7-6-10-16(11-14)22-2/h3-11,13H,12H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine?
N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine is sourced from PubChem (CID 1096451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).