2-butyl-1H-imidazole;hydrochloride

C7H13ClN2 — CID 141134528

IUPAC2-butyl-1H-imidazole;hydrochloride
SMILESCCCCc1ncc[nH]1.Cl
InChIInChI=1S/C7H12N2.ClH/c1-2-3-4-7-8-5-6-9-7;/h5-6H,2-4H2,1H3,(H,8,9);1H
InChIKeyKNSHRDDDMLXPDQ-UHFFFAOYSA-N
MW160.65 g/mol
LogP2.17
Rot. Bonds3

About 2-butyl-1H-imidazole;hydrochloride

2-butyl-1H-imidazole;hydrochloride (PubChem CID 141134528) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is 2-butyl-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-butyl-1H-imidazole;hydrochloride
PubChem CID141134528
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC Name2-butyl-1H-imidazole;hydrochloride
SMILESCCCCc1ncc[nH]1.Cl
InChIInChI=1S/C7H12N2.ClH/c1-2-3-4-7-8-5-6-9-7;/h5-6H,2-4H2,1H3,(H,8,9);1H
InChIKeyKNSHRDDDMLXPDQ-UHFFFAOYSA-N
XLogP2.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-1H-imidazole;cyclohexane
CID 173413359
2-octadecyl-1H-imidazole
CID 54221067
2-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
2-decyl-1H-imidazole
CID 3089145
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
CID 140833512
N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
CID 140833493
2-butyl-1H-imidazole;hexanoic acid
CID 175164203
2-hexadecyl-1H-imidazole;urea
CID 174763574
2-propyl-1H-imidazole tetrafluoroborate
CID 174826414
2-(3-pentylnonyl)-1H-imidazole
CID 130279651

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1H-imidazole;hydrochloride?
The IUPAC name of 2-butyl-1H-imidazole;hydrochloride (CID 141134528) is 2-butyl-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-butyl-1H-imidazole;hydrochloride?
The canonical SMILES for 2-butyl-1H-imidazole;hydrochloride is CCCCc1ncc[nH]1.Cl.
What is the InChIKey of 2-butyl-1H-imidazole;hydrochloride?
The InChIKey is KNSHRDDDMLXPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.ClH/c1-2-3-4-7-8-5-6-9-7;/h5-6H,2-4H2,1H3,(H,8,9);1H.
What are the key properties of 2-butyl-1H-imidazole;hydrochloride?
2-butyl-1H-imidazole;hydrochloride has a molecular weight of 160.65 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1H-imidazole;hydrochloride is sourced from PubChem (CID 141134528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).