5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride

C8H13ClN2O2 — CID 53230926

IUPAC5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCc1ncc[nH]1
InChIInChI=1S/C8H12N2O2.ClH/c11-8(12)4-2-1-3-7-9-5-6-10-7;/h5-6H,1-4H2,(H,9,10)(H,11,12);1H
InChIKeyLGNCJJLMRCMQGV-UHFFFAOYSA-N
MW204.66 g/mol
LogP1.63
Rot. Bonds5

About 5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride

5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride (PubChem CID 53230926) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride
PubChem CID53230926
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCc1ncc[nH]1
InChIInChI=1S/C8H12N2O2.ClH/c11-8(12)4-2-1-3-7-9-5-6-10-7;/h5-6H,1-4H2,(H,9,10)(H,11,12);1H
InChIKeyLGNCJJLMRCMQGV-UHFFFAOYSA-N
XLogP1.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-Imidazol-2-yl)propanoic acid
CID 18320517
3-(1H-imidazol-2-yl)propanoic acid hydrochloride
CID 50998247
2-(1H-imidazol-2-yl)acetic acid hydrochloride
CID 53230924
6-Imidazol-1-ylhexanoic acid;hydrochloride
CID 45264028
Imidazole-2-acetic acid
CID 17935379
6-(1H-Imidazol-1-yl)hexanoic acid
CID 12803314
12-Imidazolyldodecanoic acid
CID 454103
(S)-2-amino-5-(imidazol-2-ylamino)pentanoic acid
CID 46237587
4-(1H-imidazol-2-yl)butanoic acid hydrochloride
CID 53230925
3-Imidazolyl-L-alanine
CID 11955442
9-(1H-imidazol-2-yl)nonanoic acid
CID 454104
7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride
CID 12870348

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride?
The IUPAC name of 5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride (CID 53230926) is 5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride.
What is the SMILES notation for 5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride?
The canonical SMILES for 5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride is Cl.O=C(O)CCCCc1ncc[nH]1.
What is the InChIKey of 5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride?
The InChIKey is LGNCJJLMRCMQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c11-8(12)4-2-1-3-7-9-5-6-10-7;/h5-6H,1-4H2,(H,9,10)(H,11,12);1H.
What are the key properties of 5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride?
5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)pentanoic acid;hydrochloride is sourced from PubChem (CID 53230926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).