2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile

C15H15N5 — CID 137147616

IUPAC2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile
SMILESN#CC1=C(N)Nc2nc3ccccc3n2C12CCCC2
InChIInChI=1S/C15H15N5/c16-9-10-13(17)19-14-18-11-5-1-2-6-12(11)20(14)15(10)7-3-4-8-15/h1-2,5-6H,3-4,7-8,17H2,(H,18,19)
InChIKeyFJXYISIQQRDRBC-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.42
Rot. Bonds

About 2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile

2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile (PubChem CID 137147616) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile.

Molecular Properties

Compound Name2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile
PubChem CID137147616
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile
SMILESN#CC1=C(N)Nc2nc3ccccc3n2C12CCCC2
InChIInChI=1S/C15H15N5/c16-9-10-13(17)19-14-18-11-5-1-2-6-12(11)20(14)15(10)7-3-4-8-15/h1-2,5-6H,3-4,7-8,17H2,(H,18,19)
InChIKeyFJXYISIQQRDRBC-UHFFFAOYSA-N
XLogP2.42
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-1H-1,3-benzodiazole-5-carbonitrile
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CID 321677

Frequently Asked Questions

What is the IUPAC name of 2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile?
The IUPAC name of 2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile (CID 137147616) is 2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile.
What is the SMILES notation for 2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile?
The canonical SMILES for 2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile is N#CC1=C(N)Nc2nc3ccccc3n2C12CCCC2.
What is the InChIKey of 2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile?
The InChIKey is FJXYISIQQRDRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-9-10-13(17)19-14-18-11-5-1-2-6-12(11)20(14)15(10)7-3-4-8-15/h1-2,5-6H,3-4,7-8,17H2,(H,18,19).
What are the key properties of 2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile?
2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile is sourced from PubChem (CID 137147616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).