4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole

C15H18N2 — CID 146359463

IUPAC4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole
SMILESC/C=C\c1c(CC)nc(-c2ccccc2)n1C
InChIInChI=1S/C15H18N2/c1-4-9-14-13(5-2)16-15(17(14)3)12-10-7-6-8-11-12/h4,6-11H,5H2,1-3H3/b9-4-
InChIKeyLMDFWKXBZZRFPJ-WTKPLQERSA-N
MW226.32 g/mol
LogP3.68
Rot. Bonds3

About 4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole

4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole (PubChem CID 146359463) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole.

Molecular Properties

Compound Name4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole
PubChem CID146359463
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole
SMILESC/C=C\c1c(CC)nc(-c2ccccc2)n1C
InChIInChI=1S/C15H18N2/c1-4-9-14-13(5-2)16-15(17(14)3)12-10-7-6-8-11-12/h4,6-11H,5H2,1-3H3/b9-4-
InChIKeyLMDFWKXBZZRFPJ-WTKPLQERSA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole?
The IUPAC name of 4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole (CID 146359463) is 4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole.
What is the SMILES notation for 4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole?
The canonical SMILES for 4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole is C/C=C\c1c(CC)nc(-c2ccccc2)n1C.
What is the InChIKey of 4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole?
The InChIKey is LMDFWKXBZZRFPJ-WTKPLQERSA-N. The full InChI is InChI=1S/C15H18N2/c1-4-9-14-13(5-2)16-15(17(14)3)12-10-7-6-8-11-12/h4,6-11H,5H2,1-3H3/b9-4-.
What are the key properties of 4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole?
4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole has a molecular weight of 226.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole is sourced from PubChem (CID 146359463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).