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

C21H18FN3O2 — CID 41082737

IUPACN-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)oc2ccccc12
InChIInChI=1S/C21H18FN3O2/c1-13-16-5-3-4-6-17(16)27-19(13)21(26)24-18(20-23-11-12-25(20)2)14-7-9-15(22)10-8-14/h3-12,18H,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyRGAMNCOEMUPGTF-SFHVURJKSA-N
MW363.39 g/mol
LogP4.13
Rot. Bonds4

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

N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 41082737) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID41082737
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC NameN-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)oc2ccccc12
InChIInChI=1S/C21H18FN3O2/c1-13-16-5-3-4-6-17(16)27-19(13)21(26)24-18(20-23-11-12-25(20)2)14-7-9-15(22)10-8-14/h3-12,18H,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyRGAMNCOEMUPGTF-SFHVURJKSA-N
XLogP4.13
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55430435
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
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 27453749
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
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46698593
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide (CID 41082737) is N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 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)oc2ccccc12.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is RGAMNCOEMUPGTF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-13-16-5-3-4-6-17(16)27-19(13)21(26)24-18(20-23-11-12-25(20)2)14-7-9-15(22)10-8-14/h3-12,18H,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 41082737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).