3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one

C16H13N5O2 — CID 39826453

IUPAC3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc2nc(Cn3cnc4cnccc4c3=O)[nH]c2c1
InChIInChI=1S/C16H13N5O2/c1-23-10-2-3-12-13(6-10)20-15(19-12)8-21-9-18-14-7-17-5-4-11(14)16(21)22/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyCFQGLMCSEOFLSM-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.72
Rot. Bonds3

About 3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one

3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 39826453) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID39826453
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc2nc(Cn3cnc4cnccc4c3=O)[nH]c2c1
InChIInChI=1S/C16H13N5O2/c1-23-10-2-3-12-13(6-10)20-15(19-12)8-21-9-18-14-7-17-5-4-11(14)16(21)22/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyCFQGLMCSEOFLSM-UHFFFAOYSA-N
XLogP1.72
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-7-(trifluoromethyl)quinazolin-4-one
CID 39830460
3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one
CID 39804596
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 39791294
3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
CID 91650448
3-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 167973480
6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one
CID 39826371
6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
CID 82335981
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275735
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275742

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one (CID 39826453) is 3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one is COc1ccc2nc(Cn3cnc4cnccc4c3=O)[nH]c2c1.
What is the InChIKey of 3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CFQGLMCSEOFLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-23-10-2-3-12-13(6-10)20-15(19-12)8-21-9-18-14-7-17-5-4-11(14)16(21)22/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of 3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one?
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 307.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 39826453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).