2H-pyrimido[1,6-a]benzimidazol-1-one

C10H7N3O — CID 137234461

IUPAC2H-pyrimido[1,6-a]benzimidazol-1-one
SMILESO=c1[nH]ccc2nc3ccccc3n12
InChIInChI=1S/C10H7N3O/c14-10-11-6-5-9-12-7-3-1-2-4-8(7)13(9)10/h1-6H,(H,11,14)
InChIKeyQSXMEWNXUGIEGH-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.18
Rot. Bonds

About 2H-pyrimido[1,6-a]benzimidazol-1-one

2H-pyrimido[1,6-a]benzimidazol-1-one (PubChem CID 137234461) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2H-pyrimido[1,6-a]benzimidazol-1-one.

Molecular Properties

Compound Name2H-pyrimido[1,6-a]benzimidazol-1-one
PubChem CID137234461
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name2H-pyrimido[1,6-a]benzimidazol-1-one
SMILESO=c1[nH]ccc2nc3ccccc3n12
InChIInChI=1S/C10H7N3O/c14-10-11-6-5-9-12-7-3-1-2-4-8(7)13(9)10/h1-6H,(H,11,14)
InChIKeyQSXMEWNXUGIEGH-UHFFFAOYSA-N
XLogP1.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,9-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),3,5,7,9,11,14,16,18,20-decaene
CID 11054668
5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566
1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile
CID 10750979
4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one
CID 135616216
5-methylquinolino[2,1-b]quinazolin-12-one
CID 14666352
ethane;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
CID 90702606
2H-imidazo[5,1-b]quinazolin-1-one
CID 151799945
2-methoxybenzimidazolo[1,2-a]quinoline
CID 11521634
15-amino-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 3512510
17-hydroxy-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 141341157
9-methylpyrido[2,1-b]quinazolin-11-one
CID 11321767
1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene
CID 57352364

Frequently Asked Questions

What is the IUPAC name of 2H-pyrimido[1,6-a]benzimidazol-1-one?
The IUPAC name of 2H-pyrimido[1,6-a]benzimidazol-1-one (CID 137234461) is 2H-pyrimido[1,6-a]benzimidazol-1-one.
What is the SMILES notation for 2H-pyrimido[1,6-a]benzimidazol-1-one?
The canonical SMILES for 2H-pyrimido[1,6-a]benzimidazol-1-one is O=c1[nH]ccc2nc3ccccc3n12.
What is the InChIKey of 2H-pyrimido[1,6-a]benzimidazol-1-one?
The InChIKey is QSXMEWNXUGIEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c14-10-11-6-5-9-12-7-3-1-2-4-8(7)13(9)10/h1-6H,(H,11,14).
What are the key properties of 2H-pyrimido[1,6-a]benzimidazol-1-one?
2H-pyrimido[1,6-a]benzimidazol-1-one has a molecular weight of 185.19 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrimido[1,6-a]benzimidazol-1-one is sourced from PubChem (CID 137234461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).