N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

C24H21N5O4 — CID 27152314

IUPACN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccc([C@@H](NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c2nccn2C)cc1
InChIInChI=1S/C24H21N5O4/c1-28-12-11-25-23(28)20(15-7-9-16(32-2)10-8-15)27-19(30)13-29-14-26-21-17-5-3-4-6-18(17)33-22(21)24(29)31/h3-12,14,20H,13H2,1-2H3,(H,27,30)/t20-/m1/s1
InChIKeyRBZUIDRSYGSPOF-HXUWFJFHSA-N
MW443.46 g/mol
LogP2.79
Rot. Bonds6

About N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 27152314) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID27152314
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccc([C@@H](NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c2nccn2C)cc1
InChIInChI=1S/C24H21N5O4/c1-28-12-11-25-23(28)20(15-7-9-16(32-2)10-8-15)27-19(30)13-29-14-26-21-17-5-3-4-6-18(17)33-22(21)24(29)31/h3-12,14,20H,13H2,1-2H3,(H,27,30)/t20-/m1/s1
InChIKeyRBZUIDRSYGSPOF-HXUWFJFHSA-N
XLogP2.79
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 55453986
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 55395238
N-[2-(4-methoxyphenyl)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26644201
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 27152244
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 46530507
methyl 3-(4-chlorophenyl)-3-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]propanoate
CID 55436063
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 4808372
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51214138
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 36638707
N-(6-methylheptan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51200315
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (CID 27152314) is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is COc1ccc([C@@H](NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c2nccn2C)cc1.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is RBZUIDRSYGSPOF-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-28-12-11-25-23(28)20(15-7-9-16(32-2)10-8-15)27-19(30)13-29-14-26-21-17-5-3-4-6-18(17)33-22(21)24(29)31/h3-12,14,20H,13H2,1-2H3,(H,27,30)/t20-/m1/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 443.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 27152314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).