10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride

C17H26ClN3 — CID 2852817

IUPAC10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCCCCCCCN1C2=NCCCN2c2ccccc21.Cl
InChIInChI=1S/C17H25N3.ClH/c1-2-3-4-5-8-13-19-15-10-6-7-11-16(15)20-14-9-12-18-17(19)20;/h6-7,10-11H,2-5,8-9,12-14H2,1H3;1H
InChIKeyWYANAQQXFZXUQT-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.46
Rot. Bonds6

About 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride

10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (PubChem CID 2852817) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
PubChem CID2852817
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCCCCCCCN1C2=NCCCN2c2ccccc21.Cl
InChIInChI=1S/C17H25N3.ClH/c1-2-3-4-5-8-13-19-15-10-6-7-11-16(15)20-14-9-12-18-17(19)20;/h6-7,10-11H,2-5,8-9,12-14H2,1H3;1H
InChIKeyWYANAQQXFZXUQT-UHFFFAOYSA-N
XLogP4.46
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.46
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 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (CID 2852817) is 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is CCCCCCCN1C2=NCCCN2c2ccccc21.Cl.
What is the InChIKey of 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The InChIKey is WYANAQQXFZXUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3.ClH/c1-2-3-4-5-8-13-19-15-10-6-7-11-16(15)20-14-9-12-18-17(19)20;/h6-7,10-11H,2-5,8-9,12-14H2,1H3;1H.
What are the key properties of 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride has a molecular weight of 307.87 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 2852817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).