(5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole

C10H18N2 — CID 137457997

IUPAC(5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole
SMILESC/C=C1\C(CCCC)N=CN1C
InChIInChI=1S/C10H18N2/c1-4-6-7-9-10(5-2)12(3)8-11-9/h5,8-9H,4,6-7H2,1-3H3/b10-5+
InChIKeyOLSPFRHVQSNRJC-BJMVGYQFSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds3

About (5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole

(5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole (PubChem CID 137457997) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole.

Molecular Properties

Compound Name(5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole
PubChem CID137457997
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole
SMILESC/C=C1\C(CCCC)N=CN1C
InChIInChI=1S/C10H18N2/c1-4-6-7-9-10(5-2)12(3)8-11-9/h5,8-9H,4,6-7H2,1-3H3/b10-5+
InChIKeyOLSPFRHVQSNRJC-BJMVGYQFSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole?
The IUPAC name of (5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole (CID 137457997) is (5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole.
What is the SMILES notation for (5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole?
The canonical SMILES for (5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole is C/C=C1\C(CCCC)N=CN1C.
What is the InChIKey of (5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole?
The InChIKey is OLSPFRHVQSNRJC-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-7-9-10(5-2)12(3)8-11-9/h5,8-9H,4,6-7H2,1-3H3/b10-5+.
What are the key properties of (5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole?
(5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-butyl-5-ethylidene-1-methyl-4H-imidazole is sourced from PubChem (CID 137457997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).