2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole

C18H12BrN3S2 — CID 5235190

IUPAC2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESBrc1ccc(C2=CC(c3cccs3)n3c(nc4ccccc43)N2)s1
InChIInChI=1S/C18H12BrN3S2/c19-17-8-7-15(24-17)12-10-14(16-6-3-9-23-16)22-13-5-2-1-4-11(13)20-18(22)21-12/h1-10,14H,(H,20,21)
InChIKeyHQFGGGVVKHTFDP-UHFFFAOYSA-N
MW414.35 g/mol
LogP5.98
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole

2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 5235190) has the molecular formula C18H12BrN3S2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID5235190
Molecular FormulaC18H12BrN3S2
Molecular Weight414.35 g/mol
Exact Mass412.97
IUPAC Name2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESBrc1ccc(C2=CC(c3cccs3)n3c(nc4ccccc43)N2)s1
InChIInChI=1S/C18H12BrN3S2/c19-17-8-7-15(24-17)12-10-14(16-6-3-9-23-16)22-13-5-2-1-4-11(13)20-18(22)21-12/h1-10,14H,(H,20,21)
InChIKeyHQFGGGVVKHTFDP-UHFFFAOYSA-N
XLogP5.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.35
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 5235190) is 2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole is Brc1ccc(C2=CC(c3cccs3)n3c(nc4ccccc43)N2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is HQFGGGVVKHTFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3S2/c19-17-8-7-15(24-17)12-10-14(16-6-3-9-23-16)22-13-5-2-1-4-11(13)20-18(22)21-12/h1-10,14H,(H,20,21).
What are the key properties of 2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole?
2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 414.35 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 5235190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).