2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole

C12H19BrN2 — CID 114532199

IUPAC2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole
SMILESCn1ccnc1CCCCC(Br)C1CC1
InChIInChI=1S/C12H19BrN2/c1-15-9-8-14-12(15)5-3-2-4-11(13)10-6-7-10/h8-11H,2-7H2,1H3
InChIKeyKBIHTEMUAVYFSN-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.31
Rot. Bonds6

About 2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole

2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole (PubChem CID 114532199) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole
PubChem CID114532199
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole
SMILESCn1ccnc1CCCCC(Br)C1CC1
InChIInChI=1S/C12H19BrN2/c1-15-9-8-14-12(15)5-3-2-4-11(13)10-6-7-10/h8-11H,2-7H2,1H3
InChIKeyKBIHTEMUAVYFSN-UHFFFAOYSA-N
XLogP3.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromohexyl)-1-methylimidazole
CID 114532192
2-(4-bromopentyl)-1-methylimidazole
CID 79761341
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-(4-bromohexyl)-1-methylimidazole
CID 79762311
1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530310
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
2-(4-bromoheptyl)-1-methylimidazole
CID 79761944
8-(1-methylimidazol-2-yl)octan-4-ol
CID 114532164
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-methyl-2-pentadecylimidazole
CID 68899434
1-methyl-2-nonylimidazole
CID 67393993
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole?
The IUPAC name of 2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole (CID 114532199) is 2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole.
What is the SMILES notation for 2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole?
The canonical SMILES for 2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole is Cn1ccnc1CCCCC(Br)C1CC1.
What is the InChIKey of 2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole?
The InChIKey is KBIHTEMUAVYFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-15-9-8-14-12(15)5-3-2-4-11(13)10-6-7-10/h8-11H,2-7H2,1H3.
What are the key properties of 2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole?
2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole has a molecular weight of 271.20 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole is sourced from PubChem (CID 114532199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).