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

C24H21N5O4 — CID 55453986

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccccc1C(NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1nccn1C
InChIInChI=1S/C24H21N5O4/c1-28-12-11-25-23(28)21(15-7-3-5-9-17(15)32-2)27-19(30)13-29-14-26-20-16-8-4-6-10-18(16)33-22(20)24(29)31/h3-12,14,21H,13H2,1-2H3,(H,27,30)
InChIKeyGINVFJPSYCOFJL-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.79
Rot. Bonds6

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

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 55453986) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID55453986
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccccc1C(NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1nccn1C
InChIInChI=1S/C24H21N5O4/c1-28-12-11-25-23(28)21(15-7-3-5-9-17(15)32-2)27-19(30)13-29-14-26-20-16-8-4-6-10-18(16)33-22(20)24(29)31/h3-12,14,21H,13H2,1-2H3,(H,27,30)
InChIKeyGINVFJPSYCOFJL-UHFFFAOYSA-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-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 27152314
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26813139
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 55395238
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
N-(6-methylheptan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51200315
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55453203
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-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 52908558
N-(3-methyl-1-phenylbutyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 46568394
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 46530507

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (CID 55453986) is N-[(2-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-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is COc1ccccc1C(NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is GINVFJPSYCOFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-28-12-11-25-23(28)21(15-7-3-5-9-17(15)32-2)27-19(30)13-29-14-26-20-16-8-4-6-10-18(16)33-22(20)24(29)31/h3-12,14,21H,13H2,1-2H3,(H,27,30).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
N-[(2-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-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 55453986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).