10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide

C14H20BrN3 — CID 5340523

IUPAC10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide
SMILESBr.CCCCN1C2=NCCCN2c2ccccc21
InChIInChI=1S/C14H19N3.BrH/c1-2-3-10-16-12-7-4-5-8-13(12)17-11-6-9-15-14(16)17;/h4-5,7-8H,2-3,6,9-11H2,1H3;1H
InChIKeyFOFZNVXVRKDEAL-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.45
Rot. Bonds3

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

10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide (PubChem CID 5340523) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide.

Molecular Properties

Compound Name10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide
PubChem CID5340523
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide
SMILESBr.CCCCN1C2=NCCCN2c2ccccc21
InChIInChI=1S/C14H19N3.BrH/c1-2-3-10-16-12-7-4-5-8-13(12)17-11-6-9-15-14(16)17;/h4-5,7-8H,2-3,6,9-11H2,1H3;1H
InChIKeyFOFZNVXVRKDEAL-UHFFFAOYSA-N
XLogP3.45
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide?
The IUPAC name of 10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide (CID 5340523) is 10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide.
What is the SMILES notation for 10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide?
The canonical SMILES for 10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide is Br.CCCCN1C2=NCCCN2c2ccccc21.
What is the InChIKey of 10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide?
The InChIKey is FOFZNVXVRKDEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.BrH/c1-2-3-10-16-12-7-4-5-8-13(12)17-11-6-9-15-14(16)17;/h4-5,7-8H,2-3,6,9-11H2,1H3;1H.
What are the key properties of 10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide?
10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide has a molecular weight of 310.24 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide is sourced from PubChem (CID 5340523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).