(4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C21H21N5O — CID 95206815

IUPAC(4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nccc(CN2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)n1
InChIInChI=1S/C21H21N5O/c1-2-19-22-9-7-15(25-19)12-26-10-8-16-20(24-13-23-16)21(26)18-11-14-5-3-4-6-17(14)27-18/h3-7,9,11,13,21H,2,8,10,12H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyLUXFHUMARYCOIN-NRFANRHFSA-N
MW359.43 g/mol
LogP3.66
Rot. Bonds4

About (4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95206815) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is (4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95206815
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name(4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nccc(CN2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)n1
InChIInChI=1S/C21H21N5O/c1-2-19-22-9-7-15(25-19)12-26-10-8-16-20(24-13-23-16)21(26)18-11-14-5-3-4-6-17(14)27-18/h3-7,9,11,13,21H,2,8,10,12H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyLUXFHUMARYCOIN-NRFANRHFSA-N
XLogP3.66
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95206815) is (4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1nccc(CN2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)n1.
What is the InChIKey of (4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is LUXFHUMARYCOIN-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21N5O/c1-2-19-22-9-7-15(25-19)12-26-10-8-16-20(24-13-23-16)21(26)18-11-14-5-3-4-6-17(14)27-18/h3-7,9,11,13,21H,2,8,10,12H2,1H3,(H,23,24)/t21-/m0/s1.
What are the key properties of (4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 359.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-benzofuran-2-yl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95206815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).