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

C13H18ClN3 — CID 3066879

IUPAC4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
SMILESCCCCN1C2=NCCN2c2ccccc21.Cl
InChIInChI=1S/C13H17N3.ClH/c1-2-3-9-15-11-6-4-5-7-12(11)16-10-8-14-13(15)16;/h4-7H,2-3,8-10H2,1H3;1H
InChIKeySWZLVAXPWDHRHF-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.90
Rot. Bonds3

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

4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride (PubChem CID 3066879) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
PubChem CID3066879
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
SMILESCCCCN1C2=NCCN2c2ccccc21.Cl
InChIInChI=1S/C13H17N3.ClH/c1-2-3-9-15-11-6-4-5-7-12(11)16-10-8-14-13(15)16;/h4-7H,2-3,8-10H2,1H3;1H
InChIKeySWZLVAXPWDHRHF-UHFFFAOYSA-N
XLogP2.90
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride (CID 3066879) is 4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride is CCCCN1C2=NCCN2c2ccccc21.Cl.
What is the InChIKey of 4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The InChIKey is SWZLVAXPWDHRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.ClH/c1-2-3-9-15-11-6-4-5-7-12(11)16-10-8-14-13(15)16;/h4-7H,2-3,8-10H2,1H3;1H.
What are the key properties of 4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 3066879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).