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

C19H15N3O2 — CID 162414781

IUPAC(2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
SMILESCc1cc(C)c(O)c(C(=O)c2cnc3nc4ccccc4n3c2)c1
InChIInChI=1S/C19H15N3O2/c1-11-7-12(2)17(23)14(8-11)18(24)13-9-20-19-21-15-5-3-4-6-16(15)22(19)10-13/h3-10,23H,1-2H3
InChIKeyBRILZBPODIWFTM-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.44
Rot. Bonds2

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

(2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone (PubChem CID 162414781) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
PubChem CID162414781
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name(2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
SMILESCc1cc(C)c(O)c(C(=O)c2cnc3nc4ccccc4n3c2)c1
InChIInChI=1S/C19H15N3O2/c1-11-7-12(2)17(23)14(8-11)18(24)13-9-20-19-21-15-5-3-4-6-16(15)22(19)10-13/h3-10,23H,1-2H3
InChIKeyBRILZBPODIWFTM-UHFFFAOYSA-N
XLogP3.44
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 4884002
(2-hydroxy-5-methylphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 901814
(2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 1211941
3-[3-(4-hydroxyphenyl) imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethyl-benzamide
CID 137120130
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869396
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869528
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869646
1-(3-Hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 168281351
(2-Hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
CID 4038504
1-(3,4-Dihydroxyphenyl)-2-[2-(2-pyridyl)benzimidazol-1-yl]ethanone
CID 57398293
2-Hydroxy-5-imidazo[1,2-a]pyridin-2-ylbenzamide
CID 134149357
(5-Fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
CID 3602941

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
The IUPAC name of (2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone (CID 162414781) is (2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone.
What is the SMILES notation for (2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
The canonical SMILES for (2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone is Cc1cc(C)c(O)c(C(=O)c2cnc3nc4ccccc4n3c2)c1.
What is the InChIKey of (2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
The InChIKey is BRILZBPODIWFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-11-7-12(2)17(23)14(8-11)18(24)13-9-20-19-21-15-5-3-4-6-16(15)22(19)10-13/h3-10,23H,1-2H3.
What are the key properties of (2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
(2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone has a molecular weight of 317.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,5-dimethylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone is sourced from PubChem (CID 162414781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).