5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide

C14H12FN3OS — CID 63939467

IUPAC5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H12FN3OS/c1-18(8-13-16-4-5-17-13)14(19)12-7-9-6-10(15)2-3-11(9)20-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyMZJBVVYKXOCSGP-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.04
Rot. Bonds3

About 5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide

5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 63939467) has the molecular formula C14H12FN3OS and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID63939467
Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
Exact Mass289.07
IUPAC Name5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H12FN3OS/c1-18(8-13-16-4-5-17-13)14(19)12-7-9-6-10(15)2-3-11(9)20-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyMZJBVVYKXOCSGP-UHFFFAOYSA-N
XLogP3.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-6-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 63940239
5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9396355
4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63928272
N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 63939663
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
5-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 64517744
3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63931220
5-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79978410
N-(2-chloroethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 81104759

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide (CID 63939467) is 5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1cc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is MZJBVVYKXOCSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-18(8-13-16-4-5-17-13)14(19)12-7-9-6-10(15)2-3-11(9)20-12/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide?
5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 63939467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).