2-pentan-3-yl-1H-imidazole

HCID 241106

Notes Reactions

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Basic information

CAS: 6638-46-6
Standard SMILES: CCC(CC)c1ncc[nH]1
InChIKey: FPLOWPOUHNRUMN-UHFFFAOYSA-N
Molecular formula: C8H14N2
Average molar mass: 138.21 g/mol
Monoisotopic mass: 138.11569845

Overview

2-pentan-3-yl-1H-imidazole is a member of imidazoles.

Names & identifiers

Preferred name: 2-pentan-3-yl-1H-imidazole
IUPAC: 2-pentan-3-yl-1H-imidazole

Names & synonyms

2-pentan-3-yl-1H-imidazole6638-46-6MLS000736637NSC 482312-(pentan-3-yl)-1h-imidazoleHMS2885C23NSC48231SCHEMBL3602253CHEMBL1567276SCHEMBL27758065DTXSID602869042-(1-ethylpropyl)-1H-imidazole

Show more names

CHEBI:116642FPLOWPOUHNRUMN-UHFFFAOYSA-NNSC-48231AKOS006380459SMR000528228Q27200947

Database identifiers

CAS: 6638-46-6
PubChem CID: 241106
DTXSID: DTXSID60286904
ChEMBL: CHEMBL1567276
ChEBI: CHEBI:116642

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 89.3

Related reactions

4 records

New reaction record

HRID 72759As reactantuspto-grants-2014_09

HRID 576846As reactantuspto-grants-2015_05

HRID 1569187As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2068969As reactantuspto-grants-2012_10

Compound notes

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