4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride

C16H24ClN3 — CID 2850465

IUPAC4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
SMILESCCCCCCCN1C2=NCCN2c2ccccc21.Cl
InChIInChI=1S/C16H23N3.ClH/c1-2-3-4-5-8-12-18-14-9-6-7-10-15(14)19-13-11-17-16(18)19;/h6-7,9-10H,2-5,8,11-13H2,1H3;1H
InChIKeyPNRGHNAEGUVDSE-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.07
Rot. Bonds6

About 4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride

4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride (PubChem CID 2850465) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
PubChem CID2850465
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
SMILESCCCCCCCN1C2=NCCN2c2ccccc21.Cl
InChIInChI=1S/C16H23N3.ClH/c1-2-3-4-5-8-12-18-14-9-6-7-10-15(14)19-13-11-17-16(18)19;/h6-7,9-10H,2-5,8,11-13H2,1H3;1H
InChIKeyPNRGHNAEGUVDSE-UHFFFAOYSA-N
XLogP4.07
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride (CID 2850465) is 4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride is CCCCCCCN1C2=NCCN2c2ccccc21.Cl.
What is the InChIKey of 4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The InChIKey is PNRGHNAEGUVDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3.ClH/c1-2-3-4-5-8-12-18-14-9-6-7-10-15(14)19-13-11-17-16(18)19;/h6-7,9-10H,2-5,8,11-13H2,1H3;1H.
What are the key properties of 4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 2850465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).