4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile

C17H12BrN5 — CID 135646740

IUPAC4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile
SMILESN#CC1=C(N)n2c(nc3ccccc32)NC1c1ccccc1Br
InChIInChI=1S/C17H12BrN5/c18-12-6-2-1-5-10(12)15-11(9-19)16(20)23-14-8-4-3-7-13(14)21-17(23)22-15/h1-8,15H,20H2,(H,21,22)
InChIKeyDFZVCFMQYJQWHW-UHFFFAOYSA-N
MW366.22 g/mol
LogP3.62
Rot. Bonds1

About 4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile

4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile (PubChem CID 135646740) has the molecular formula C17H12BrN5 and a molecular weight of 366.22 g/mol. Its IUPAC name is 4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile
PubChem CID135646740
Molecular FormulaC17H12BrN5
Molecular Weight366.22 g/mol
Exact Mass365.03
IUPAC Name4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile
SMILESN#CC1=C(N)n2c(nc3ccccc32)NC1c1ccccc1Br
InChIInChI=1S/C17H12BrN5/c18-12-6-2-1-5-10(12)15-11(9-19)16(20)23-14-8-4-3-7-13(14)21-17(23)22-15/h1-8,15H,20H2,(H,21,22)
InChIKeyDFZVCFMQYJQWHW-UHFFFAOYSA-N
XLogP3.62
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile?
The IUPAC name of 4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile (CID 135646740) is 4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile?
The canonical SMILES for 4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile is N#CC1=C(N)n2c(nc3ccccc32)NC1c1ccccc1Br.
What is the InChIKey of 4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile?
The InChIKey is DFZVCFMQYJQWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5/c18-12-6-2-1-5-10(12)15-11(9-19)16(20)23-14-8-4-3-7-13(14)21-17(23)22-15/h1-8,15H,20H2,(H,21,22).
What are the key properties of 4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile?
4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile has a molecular weight of 366.22 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile is sourced from PubChem (CID 135646740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).