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

C12H16ClN3 — CID 3066878

IUPAC4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
SMILESCCCN1C2=NCCN2c2ccccc21.Cl
InChIInChI=1S/C12H15N3.ClH/c1-2-8-14-10-5-3-4-6-11(10)15-9-7-13-12(14)15;/h3-6H,2,7-9H2,1H3;1H
InChIKeyYCNXSPFCVGBYME-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.51
Rot. Bonds2

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

4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride (PubChem CID 3066878) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
PubChem CID3066878
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
SMILESCCCN1C2=NCCN2c2ccccc21.Cl
InChIInChI=1S/C12H15N3.ClH/c1-2-8-14-10-5-3-4-6-11(10)15-9-7-13-12(14)15;/h3-6H,2,7-9H2,1H3;1H
InChIKeyYCNXSPFCVGBYME-UHFFFAOYSA-N
XLogP2.51
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride (CID 3066878) is 4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride is CCCN1C2=NCCN2c2ccccc21.Cl.
What is the InChIKey of 4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The InChIKey is YCNXSPFCVGBYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.ClH/c1-2-8-14-10-5-3-4-6-11(10)15-9-7-13-12(14)15;/h3-6H,2,7-9H2,1H3;1H.
What are the key properties of 4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 3066878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).