1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine

C13H15N3 — CID 90922480

IUPAC1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine
SMILES[H]/N=C(\C)Cc1ncn(-c2ccccc2)c1C
InChIInChI=1S/C13H15N3/c1-10(14)8-13-11(2)16(9-15-13)12-6-4-3-5-7-12/h3-7,9,14H,8H2,1-2H3/b14-10+
InChIKeyOGBCZJRRMNARRO-GXDHUFHOSA-N
MW213.28 g/mol
LogP2.76
Rot. Bonds3

About 1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine

1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine (PubChem CID 90922480) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine.

Molecular Properties

Compound Name1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine
PubChem CID90922480
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine
SMILES[H]/N=C(\C)Cc1ncn(-c2ccccc2)c1C
InChIInChI=1S/C13H15N3/c1-10(14)8-13-11(2)16(9-15-13)12-6-4-3-5-7-12/h3-7,9,14H,8H2,1-2H3/b14-10+
InChIKeyOGBCZJRRMNARRO-GXDHUFHOSA-N
XLogP2.76
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine?
The IUPAC name of 1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine (CID 90922480) is 1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine.
What is the SMILES notation for 1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine?
The canonical SMILES for 1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine is [H]/N=C(\C)Cc1ncn(-c2ccccc2)c1C.
What is the InChIKey of 1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine?
The InChIKey is OGBCZJRRMNARRO-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H15N3/c1-10(14)8-13-11(2)16(9-15-13)12-6-4-3-5-7-12/h3-7,9,14H,8H2,1-2H3/b14-10+.
What are the key properties of 1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine?
1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine has a molecular weight of 213.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine is sourced from PubChem (CID 90922480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).