2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole

C10H16N2 — CID 145471536

IUPAC2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole
SMILESC/C=C\c1nc(CC)[nH]c1CC
InChIInChI=1S/C10H16N2/c1-4-7-9-8(5-2)11-10(6-3)12-9/h4,7H,5-6H2,1-3H3,(H,11,12)/b7-4-
InChIKeyOMWWCPVULVSNQY-DAXSKMNVSA-N
MW164.25 g/mol
LogP2.57
Rot. Bonds3

About 2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole

2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole (PubChem CID 145471536) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole.

Molecular Properties

Compound Name2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole
PubChem CID145471536
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole
SMILESC/C=C\c1nc(CC)[nH]c1CC
InChIInChI=1S/C10H16N2/c1-4-7-9-8(5-2)11-10(6-3)12-9/h4,7H,5-6H2,1-3H3,(H,11,12)/b7-4-
InChIKeyOMWWCPVULVSNQY-DAXSKMNVSA-N
XLogP2.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole?
The IUPAC name of 2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole (CID 145471536) is 2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole.
What is the SMILES notation for 2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole?
The canonical SMILES for 2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole is C/C=C\c1nc(CC)[nH]c1CC.
What is the InChIKey of 2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole?
The InChIKey is OMWWCPVULVSNQY-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-7-9-8(5-2)11-10(6-3)12-9/h4,7H,5-6H2,1-3H3,(H,11,12)/b7-4-.
What are the key properties of 2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole?
2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole has a molecular weight of 164.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-4-[(Z)-prop-1-enyl]-1H-imidazole is sourced from PubChem (CID 145471536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).