methyl formate;5-methyl-1-phenylimidazol-4-amine

C12H15N3O2 — CID 143034380

IUPACmethyl formate;5-methyl-1-phenylimidazol-4-amine
SMILESCOC=O.Cc1c(N)ncn1-c1ccccc1
InChIInChI=1S/C10H11N3.C2H4O2/c1-8-10(11)12-7-13(8)9-5-3-2-4-6-9;1-4-2-3/h2-7H,11H2,1H3;2H,1H3
InChIKeyKMEFOQSZBGHBKZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.55
Rot. Bonds2

About methyl formate;5-methyl-1-phenylimidazol-4-amine

methyl formate;5-methyl-1-phenylimidazol-4-amine (PubChem CID 143034380) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl formate;5-methyl-1-phenylimidazol-4-amine.

Molecular Properties

Compound Namemethyl formate;5-methyl-1-phenylimidazol-4-amine
PubChem CID143034380
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl formate;5-methyl-1-phenylimidazol-4-amine
SMILESCOC=O.Cc1c(N)ncn1-c1ccccc1
InChIInChI=1S/C10H11N3.C2H4O2/c1-8-10(11)12-7-13(8)9-5-3-2-4-6-9;1-4-2-3/h2-7H,11H2,1H3;2H,1H3
InChIKeyKMEFOQSZBGHBKZ-UHFFFAOYSA-N
XLogP1.55
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl formate;5-methyl-1-phenylimidazol-4-amine?
The IUPAC name of methyl formate;5-methyl-1-phenylimidazol-4-amine (CID 143034380) is methyl formate;5-methyl-1-phenylimidazol-4-amine.
What is the SMILES notation for methyl formate;5-methyl-1-phenylimidazol-4-amine?
The canonical SMILES for methyl formate;5-methyl-1-phenylimidazol-4-amine is COC=O.Cc1c(N)ncn1-c1ccccc1.
What is the InChIKey of methyl formate;5-methyl-1-phenylimidazol-4-amine?
The InChIKey is KMEFOQSZBGHBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C2H4O2/c1-8-10(11)12-7-13(8)9-5-3-2-4-6-9;1-4-2-3/h2-7H,11H2,1H3;2H,1H3.
What are the key properties of methyl formate;5-methyl-1-phenylimidazol-4-amine?
methyl formate;5-methyl-1-phenylimidazol-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;5-methyl-1-phenylimidazol-4-amine is sourced from PubChem (CID 143034380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).