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

C21H17F2N3O2 — CID 25358425

IUPAC5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)oc2ccc(F)cc12
InChIInChI=1S/C21H17F2N3O2/c1-12-16-11-15(23)7-8-17(16)28-19(12)21(27)25-18(20-24-9-10-26(20)2)13-3-5-14(22)6-4-13/h3-11,18H,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyMZQOAJJCRVCJNV-SFHVURJKSA-N
MW381.38 g/mol
LogP4.27
Rot. Bonds4

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

5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 25358425) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID25358425
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)oc2ccc(F)cc12
InChIInChI=1S/C21H17F2N3O2/c1-12-16-11-15(23)7-8-17(16)28-19(12)21(27)25-18(20-24-9-10-26(20)2)13-3-5-14(22)6-4-13/h3-11,18H,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyMZQOAJJCRVCJNV-SFHVURJKSA-N
XLogP4.27
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55430435
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
5-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 42923218
5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 92600014
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
CID 42921444
7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
CID 55607345
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide (CID 25358425) is 5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MZQOAJJCRVCJNV-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c1-12-16-11-15(23)7-8-17(16)28-19(12)21(27)25-18(20-24-9-10-26(20)2)13-3-5-14(22)6-4-13/h3-11,18H,1-2H3,(H,25,27)/t18-/m0/s1.
What are the key properties of 5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide?
5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25358425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).