1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide

C9H15BrN2 — CID 175523158

IUPAC1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide
SMILESBr.CC#CN1C=CN(CCC)C1
InChIInChI=1S/C9H14N2.BrH/c1-3-5-10-7-8-11(9-10)6-4-2;/h7-8H,3,5,9H2,1-2H3;1H
InChIKeyIJPPQRJATAUOFW-UHFFFAOYSA-N
MW231.14 g/mol
LogP2.00
Rot. Bonds2

About 1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide

1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide (PubChem CID 175523158) has the molecular formula C9H15BrN2 and a molecular weight of 231.14 g/mol. Its IUPAC name is 1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide.

Molecular Properties

Compound Name1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide
PubChem CID175523158
Molecular FormulaC9H15BrN2
Molecular Weight231.14 g/mol
Exact Mass230.04
IUPAC Name1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide
SMILESBr.CC#CN1C=CN(CCC)C1
InChIInChI=1S/C9H14N2.BrH/c1-3-5-10-7-8-11(9-10)6-4-2;/h7-8H,3,5,9H2,1-2H3;1H
InChIKeyIJPPQRJATAUOFW-UHFFFAOYSA-N
XLogP2.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-propyl-2H-imidazole;hydroiodide
CID 67338438
1-tert-butyl-3-propyl-2H-imidazole
CID 68778340
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-pentyl-3-propyl-2H-imidazole;hydrochloride
CID 173025272
1-cyclopentyl-3-propyl-2H-imidazole
CID 174543956
1-ethyl-3-propyl-2H-imidazole tetrafluoroborate
CID 174735420
1-hexyl-3-propyl-2H-imidazole;hydroiodide
CID 173007691
methanetricarbonitrile;1-methyl-3-propyl-2H-imidazole
CID 158620122
N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine
CID 174234273
iodic acid;1-methyl-3-propyl-2H-imidazole
CID 159990491
trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane
CID 68608712
1,3-di(nonyl)-2H-imidazole
CID 69395396

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide?
The IUPAC name of 1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide (CID 175523158) is 1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide.
What is the SMILES notation for 1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide?
The canonical SMILES for 1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide is Br.CC#CN1C=CN(CCC)C1.
What is the InChIKey of 1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide?
The InChIKey is IJPPQRJATAUOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.BrH/c1-3-5-10-7-8-11(9-10)6-4-2;/h7-8H,3,5,9H2,1-2H3;1H.
What are the key properties of 1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide?
1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide has a molecular weight of 231.14 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide is sourced from PubChem (CID 175523158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).