8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C19H18FN7O — CID 121432921

IUPAC8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)c(C)n1
InChIInChI=1S/C19H18FN7O/c1-11-9-26(12(2)24-11)16-8-22-19(27-10-23-25-18(16)27)21-7-14-13-5-6-28-17(13)4-3-15(14)20/h3-4,8-10H,5-7H2,1-2H3,(H,21,22)
InChIKeyDLOCERYQNWPSFY-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.61
Rot. Bonds4

About 8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 121432921) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is 8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID121432921
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)c(C)n1
InChIInChI=1S/C19H18FN7O/c1-11-9-26(12(2)24-11)16-8-22-19(27-10-23-25-18(16)27)21-7-14-13-5-6-28-17(13)4-3-15(14)20/h3-4,8-10H,5-7H2,1-2H3,(H,21,22)
InChIKeyDLOCERYQNWPSFY-UHFFFAOYSA-N
XLogP2.61
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 121432921) is 8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)c(C)n1.
What is the InChIKey of 8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is DLOCERYQNWPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-11-9-26(12(2)24-11)16-8-22-19(27-10-23-25-18(16)27)21-7-14-13-5-6-28-17(13)4-3-15(14)20/h3-4,8-10H,5-7H2,1-2H3,(H,21,22).
What are the key properties of 8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 379.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylimidazol-1-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 121432921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).