4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde

C9H11BrN2O — CID 82373915

IUPAC4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde
SMILESO=Cc1nc(Br)c(C2CCCC2)[nH]1
InChIInChI=1S/C9H11BrN2O/c10-9-8(6-3-1-2-4-6)11-7(5-13)12-9/h5-6H,1-4H2,(H,11,12)
InChIKeyBZVWZZSWGDKTLH-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.64
Rot. Bonds2

About 4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde

4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde (PubChem CID 82373915) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde
PubChem CID82373915
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde
SMILESO=Cc1nc(Br)c(C2CCCC2)[nH]1
InChIInChI=1S/C9H11BrN2O/c10-9-8(6-3-1-2-4-6)11-7(5-13)12-9/h5-6H,1-4H2,(H,11,12)
InChIKeyBZVWZZSWGDKTLH-UHFFFAOYSA-N
XLogP2.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde?
The IUPAC name of 4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde (CID 82373915) is 4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde is O=Cc1nc(Br)c(C2CCCC2)[nH]1.
What is the InChIKey of 4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde?
The InChIKey is BZVWZZSWGDKTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-9-8(6-3-1-2-4-6)11-7(5-13)12-9/h5-6H,1-4H2,(H,11,12).
What are the key properties of 4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde?
4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde has a molecular weight of 243.10 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 82373915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).