5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole

C12H16N2 — CID 123237122

IUPAC5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole
SMILESCCC1=CC=C(c2cnc(C)[nH]2)CC1
InChIInChI=1S/C12H16N2/c1-3-10-4-6-11(7-5-10)12-8-13-9(2)14-12/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyYQWFCTYXKSYKGM-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.23
Rot. Bonds2

About 5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole

5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole (PubChem CID 123237122) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole
PubChem CID123237122
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole
SMILESCCC1=CC=C(c2cnc(C)[nH]2)CC1
InChIInChI=1S/C12H16N2/c1-3-10-4-6-11(7-5-10)12-8-13-9(2)14-12/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyYQWFCTYXKSYKGM-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole?
The IUPAC name of 5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole (CID 123237122) is 5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole.
What is the SMILES notation for 5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole?
The canonical SMILES for 5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole is CCC1=CC=C(c2cnc(C)[nH]2)CC1.
What is the InChIKey of 5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole?
The InChIKey is YQWFCTYXKSYKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-10-4-6-11(7-5-10)12-8-13-9(2)14-12/h4,6,8H,3,5,7H2,1-2H3,(H,13,14).
What are the key properties of 5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole?
5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole has a molecular weight of 188.27 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylcyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole is sourced from PubChem (CID 123237122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).