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

C15H14FN3O2 — CID 92600014

IUPAC5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2nccn2C)oc2ccc(F)cc12
InChIInChI=1S/C15H14FN3O2/c1-9-11-7-10(16)3-4-12(11)21-14(9)15(20)18-8-13-17-5-6-19(13)2/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyBCFCOJDOCAFZHU-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.54
Rot. Bonds3

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

5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 92600014) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID92600014
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2nccn2C)oc2ccc(F)cc12
InChIInChI=1S/C15H14FN3O2/c1-9-11-7-10(16)3-4-12(11)21-14(9)15(20)18-8-13-17-5-6-19(13)2/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyBCFCOJDOCAFZHU-UHFFFAOYSA-N
XLogP2.54
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.54
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
4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113304577
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 8531491
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242438
5-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 118984853
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]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55430435
5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8935487
N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55854007

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 92600014) is 5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2nccn2C)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is BCFCOJDOCAFZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-11-7-10(16)3-4-12(11)21-14(9)15(20)18-8-13-17-5-6-19(13)2/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of 5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 92600014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).