1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole

C10H12N2 — CID 175095411

IUPAC1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole
SMILESCCc1nccn1C1C=CC=C1
InChIInChI=1S/C10H12N2/c1-2-10-11-7-8-12(10)9-5-3-4-6-9/h3-9H,2H2,1H3
InChIKeyBBKVJZVISPQBPZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.11
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole

1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole (PubChem CID 175095411) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole
PubChem CID175095411
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole
SMILESCCc1nccn1C1C=CC=C1
InChIInChI=1S/C10H12N2/c1-2-10-11-7-8-12(10)9-5-3-4-6-9/h3-9H,2H2,1H3
InChIKeyBBKVJZVISPQBPZ-UHFFFAOYSA-N
XLogP2.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(2-ethylimidazol-1-yl)-1-methylazepane
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CID 122501271
2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
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1-(cyclopropylmethyl)-2-ethylimidazole
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2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
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2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole (CID 175095411) is 1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole is CCc1nccn1C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole?
The InChIKey is BBKVJZVISPQBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-10-11-7-8-12(10)9-5-3-4-6-9/h3-9H,2H2,1H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole?
1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole has a molecular weight of 160.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-2-ethylimidazole is sourced from PubChem (CID 175095411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).