(2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone

C18H13N3O2 — CID 4692639

IUPAC(2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
SMILESCc1ccc(O)c(C(=O)c2cnc3nc4ccccc4n3c2)c1
InChIInChI=1S/C18H13N3O2/c1-11-6-7-16(22)13(8-11)17(23)12-9-19-18-20-14-4-2-3-5-15(14)21(18)10-12/h2-10,22H,1H3
InChIKeyGCHVXQBAIDCOLD-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.13
Rot. Bonds2

About (2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone

(2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone (PubChem CID 4692639) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
PubChem CID4692639
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name(2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
SMILESCc1ccc(O)c(C(=O)c2cnc3nc4ccccc4n3c2)c1
InChIInChI=1S/C18H13N3O2/c1-11-6-7-16(22)13(8-11)17(23)12-9-19-18-20-14-4-2-3-5-15(14)21(18)10-12/h2-10,22H,1H3
InChIKeyGCHVXQBAIDCOLD-UHFFFAOYSA-N
XLogP3.13
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone (CID 4692639) is (2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone is Cc1ccc(O)c(C(=O)c2cnc3nc4ccccc4n3c2)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
The InChIKey is GCHVXQBAIDCOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-11-6-7-16(22)13(8-11)17(23)12-9-19-18-20-14-4-2-3-5-15(14)21(18)10-12/h2-10,22H,1H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
(2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone has a molecular weight of 303.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone is sourced from PubChem (CID 4692639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).