2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole

C10H14N2O — CID 163700293

IUPAC2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole
SMILESC=Cc1nc(C)c(OC)n1/C=C\C
InChIInChI=1S/C10H14N2O/c1-5-7-12-9(6-2)11-8(3)10(12)13-4/h5-7H,2H2,1,3-4H3/b7-5-
InChIKeyKAKCBSDMWQIABO-ALCCZGGFSA-N
MW178.23 g/mol
LogP2.33
Rot. Bonds3

About 2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole

2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole (PubChem CID 163700293) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole.

Molecular Properties

Compound Name2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole
PubChem CID163700293
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole
SMILESC=Cc1nc(C)c(OC)n1/C=C\C
InChIInChI=1S/C10H14N2O/c1-5-7-12-9(6-2)11-8(3)10(12)13-4/h5-7H,2H2,1,3-4H3/b7-5-
InChIKeyKAKCBSDMWQIABO-ALCCZGGFSA-N
XLogP2.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole?
The IUPAC name of 2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole (CID 163700293) is 2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole.
What is the SMILES notation for 2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole?
The canonical SMILES for 2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole is C=Cc1nc(C)c(OC)n1/C=C\C.
What is the InChIKey of 2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole?
The InChIKey is KAKCBSDMWQIABO-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H14N2O/c1-5-7-12-9(6-2)11-8(3)10(12)13-4/h5-7H,2H2,1,3-4H3/b7-5-.
What are the key properties of 2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole?
2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole has a molecular weight of 178.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methoxy-4-methyl-1-[(Z)-prop-1-enyl]imidazole is sourced from PubChem (CID 163700293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).