N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C22H20FN3O3 — CID 55430435

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)c(C)c2c1
InChIInChI=1S/C22H20FN3O3/c1-13-17-12-16(28-3)8-9-18(17)29-20(13)22(27)25-19(21-24-10-11-26(21)2)14-4-6-15(23)7-5-14/h4-12,19H,1-3H3,(H,25,27)
InChIKeyJZOFDRVRRYZDMC-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.14
Rot. Bonds5

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55430435) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55430435
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)c(C)c2c1
InChIInChI=1S/C22H20FN3O3/c1-13-17-12-16(28-3)8-9-18(17)29-20(13)22(27)25-19(21-24-10-11-26(21)2)14-4-6-15(23)7-5-14/h4-12,19H,1-3H3,(H,25,27)
InChIKeyJZOFDRVRRYZDMC-UHFFFAOYSA-N
XLogP4.14
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 25358425
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 41082737
5-chloro-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 25389631
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
5-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 42923218
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 18226485
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 25371569
N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 7732767
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440
5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 92600014
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 55430435) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)c(C)c2c1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is JZOFDRVRRYZDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-13-17-12-16(28-3)8-9-18(17)29-20(13)22(27)25-19(21-24-10-11-26(21)2)14-4-6-15(23)7-5-14/h4-12,19H,1-3H3,(H,25,27).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55430435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).