2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride

C9H15ClN2O — CID 88919910

IUPAC2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride
SMILESCCCCCc1ncc(C=O)[nH]1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-2-3-4-5-9-10-6-8(7-12)11-9;/h6-7H,2-5H2,1H3,(H,10,11);1H
InChIKeyHOWPGHMVCMYELZ-UHFFFAOYSA-N
MW202.69 g/mol
LogP2.38
Rot. Bonds5

About 2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride

2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride (PubChem CID 88919910) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride
PubChem CID88919910
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride
SMILESCCCCCc1ncc(C=O)[nH]1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-2-3-4-5-9-10-6-8(7-12)11-9;/h6-7H,2-5H2,1H3,(H,10,11);1H
InChIKeyHOWPGHMVCMYELZ-UHFFFAOYSA-N
XLogP2.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-pentyl-1H-imidazole-5-carboxamide
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acetic acid;2,5-dihexyl-1H-imidazole
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CID 10731390
2-butyl-5-propyl-1H-imidazole
CID 68810469
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride?
The IUPAC name of 2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride (CID 88919910) is 2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride.
What is the SMILES notation for 2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride?
The canonical SMILES for 2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride is CCCCCc1ncc(C=O)[nH]1.Cl.
What is the InChIKey of 2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride?
The InChIKey is HOWPGHMVCMYELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.ClH/c1-2-3-4-5-9-10-6-8(7-12)11-9;/h6-7H,2-5H2,1H3,(H,10,11);1H.
What are the key properties of 2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride?
2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride is sourced from PubChem (CID 88919910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).