5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole

C11H13BrN2 — CID 123461119

IUPAC5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole
SMILESCCC1C=C(Br)C=C1Cc1cnc[nH]1
InChIInChI=1S/C11H13BrN2/c1-2-8-3-10(12)4-9(8)5-11-6-13-7-14-11/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChIKeySMOGGJVPZJDGFJ-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.20
Rot. Bonds3

About 5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole

5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole (PubChem CID 123461119) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole
PubChem CID123461119
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole
SMILESCCC1C=C(Br)C=C1Cc1cnc[nH]1
InChIInChI=1S/C11H13BrN2/c1-2-8-3-10(12)4-9(8)5-11-6-13-7-14-11/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChIKeySMOGGJVPZJDGFJ-UHFFFAOYSA-N
XLogP3.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
5-ethyl-1H-imidazole;molecular hydrogen;propane
CID 153371786
ethane;5-(ethoxymethyl)-1H-imidazole
CID 176980020
5-hexyl-1H-imidazole
CID 14225142
3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 22084622
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
5-(2-methylsulfanylethyl)-1H-imidazole
CID 141211352
5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole
CID 24738219
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
5-but-1-ynyl-1H-imidazole
CID 141192451
5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
CID 71315842
N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide
CID 77075633

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole?
The IUPAC name of 5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole (CID 123461119) is 5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole is CCC1C=C(Br)C=C1Cc1cnc[nH]1.
What is the InChIKey of 5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole?
The InChIKey is SMOGGJVPZJDGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-2-8-3-10(12)4-9(8)5-11-6-13-7-14-11/h3-4,6-8H,2,5H2,1H3,(H,13,14).
What are the key properties of 5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole?
5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole has a molecular weight of 253.14 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-5-ethylcyclopenta-1,3-dien-1-yl)methyl]-1H-imidazole is sourced from PubChem (CID 123461119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).