1-methyl-2-(1-phenylpropyl)imidazole

C13H16N2 — CID 67056293

IUPAC1-methyl-2-(1-phenylpropyl)imidazole
SMILESCCC(c1ccccc1)c1nccn1C
InChIInChI=1S/C13H16N2/c1-3-12(11-7-5-4-6-8-11)13-14-9-10-15(13)2/h4-10,12H,3H2,1-2H3
InChIKeyPMNLRWZXTMYBOV-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.96
Rot. Bonds3

About 1-methyl-2-(1-phenylpropyl)imidazole

1-methyl-2-(1-phenylpropyl)imidazole (PubChem CID 67056293) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-methyl-2-(1-phenylpropyl)imidazole.

Molecular Properties

Compound Name1-methyl-2-(1-phenylpropyl)imidazole
PubChem CID67056293
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-methyl-2-(1-phenylpropyl)imidazole
SMILESCCC(c1ccccc1)c1nccn1C
InChIInChI=1S/C13H16N2/c1-3-12(11-7-5-4-6-8-11)13-14-9-10-15(13)2/h4-10,12H,3H2,1-2H3
InChIKeyPMNLRWZXTMYBOV-UHFFFAOYSA-N
XLogP2.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-(1-phenylbut-3-enyl)imidazole
CID 175452122
triethyl-[(1-methylimidazol-2-yl)-phenylmethoxy]silane
CID 102165928
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine
CID 115580068
1-methyl-2-pentan-3-ylimidazole
CID 89261277
2-(1-methylimidazol-2-yl)-2-phenylacetonitrile
CID 116834667
2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 116773334
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 116834930
1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
CID 12063609
1-(1-methylimidazol-2-yl)propane-1-thiol
CID 174522847
2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 31080245
2-methyl-1-(1-methylimidazol-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 63975390

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-phenylpropyl)imidazole?
The IUPAC name of 1-methyl-2-(1-phenylpropyl)imidazole (CID 67056293) is 1-methyl-2-(1-phenylpropyl)imidazole.
What is the SMILES notation for 1-methyl-2-(1-phenylpropyl)imidazole?
The canonical SMILES for 1-methyl-2-(1-phenylpropyl)imidazole is CCC(c1ccccc1)c1nccn1C.
What is the InChIKey of 1-methyl-2-(1-phenylpropyl)imidazole?
The InChIKey is PMNLRWZXTMYBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-12(11-7-5-4-6-8-11)13-14-9-10-15(13)2/h4-10,12H,3H2,1-2H3.
What are the key properties of 1-methyl-2-(1-phenylpropyl)imidazole?
1-methyl-2-(1-phenylpropyl)imidazole has a molecular weight of 200.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-phenylpropyl)imidazole is sourced from PubChem (CID 67056293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).