5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide

C33H25F2N5O3 — CID 71680015

IUPAC5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide
SMILESCOc1cc(C)c(-c2ccc3oc(-c4ccc(F)cc4)c(-c4ncc[nH]4)c3c2F)cc1C(=O)NC1(c2ncccn2)CC1
InChIInChI=1S/C33H25F2N5O3/c1-18-16-25(42-2)23(31(41)40-33(10-11-33)32-38-12-3-13-39-32)17-22(18)21-8-9-24-26(28(21)35)27(30-36-14-15-37-30)29(43-24)19-4-6-20(34)7-5-19/h3-9,12-17H,10-11H2,1-2H3,(H,36,37)(H,40,41)
InChIKeyUZFGKZXYIPITCX-UHFFFAOYSA-N
MW577.59 g/mol
LogP6.96
Rot. Bonds7

About 5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide

5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide (PubChem CID 71680015) has the molecular formula C33H25F2N5O3 and a molecular weight of 577.59 g/mol. Its IUPAC name is 5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide.

Molecular Properties

Compound Name5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide
PubChem CID71680015
Molecular FormulaC33H25F2N5O3
Molecular Weight577.59 g/mol
Exact Mass577.19
IUPAC Name5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide
SMILESCOc1cc(C)c(-c2ccc3oc(-c4ccc(F)cc4)c(-c4ncc[nH]4)c3c2F)cc1C(=O)NC1(c2ncccn2)CC1
InChIInChI=1S/C33H25F2N5O3/c1-18-16-25(42-2)23(31(41)40-33(10-11-33)32-38-12-3-13-39-32)17-22(18)21-8-9-24-26(28(21)35)27(30-36-14-15-37-30)29(43-24)19-4-6-20(34)7-5-19/h3-9,12-17H,10-11H2,1-2H3,(H,36,37)(H,40,41)
InChIKeyUZFGKZXYIPITCX-UHFFFAOYSA-N
XLogP6.96
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.59
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide?
The IUPAC name of 5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide (CID 71680015) is 5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide.
What is the SMILES notation for 5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide?
The canonical SMILES for 5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide is COc1cc(C)c(-c2ccc3oc(-c4ccc(F)cc4)c(-c4ncc[nH]4)c3c2F)cc1C(=O)NC1(c2ncccn2)CC1.
What is the InChIKey of 5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide?
The InChIKey is UZFGKZXYIPITCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F2N5O3/c1-18-16-25(42-2)23(31(41)40-33(10-11-33)32-38-12-3-13-39-32)17-22(18)21-8-9-24-26(28(21)35)27(30-36-14-15-37-30)29(43-24)19-4-6-20(34)7-5-19/h3-9,12-17H,10-11H2,1-2H3,(H,36,37)(H,40,41).
What are the key properties of 5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide?
5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide has a molecular weight of 577.59 g/mol, XLogP of 6.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-5-yl]-2-methoxy-4-methyl-N-(1-pyrimidin-2-ylcyclopropyl)benzamide is sourced from PubChem (CID 71680015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).