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

C17H25N3 — CID 2852818

IUPAC10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESCCCCCCCN1C2=NCCCN2c2ccccc21
InChIInChI=1S/C17H25N3/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
InChIKeyNBRRQUKYSKMPCJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.04
Rot. Bonds6

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

10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (PubChem CID 2852818) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
PubChem CID2852818
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESCCCCCCCN1C2=NCCCN2c2ccccc21
InChIInChI=1S/C17H25N3/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
InChIKeyNBRRQUKYSKMPCJ-UHFFFAOYSA-N
XLogP4.04
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.04
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?
The IUPAC name of 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (CID 2852818) is 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is CCCCCCCN1C2=NCCCN2c2ccccc21.
What is the InChIKey of 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The InChIKey is NBRRQUKYSKMPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/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.
What are the key properties of 10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole has a molecular weight of 271.41 g/mol, XLogP of 4.04, 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 is sourced from PubChem (CID 2852818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).