3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide

C10H10BrN3OS — CID 63931220

IUPAC3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1sccc1Br
InChIInChI=1S/C10H10BrN3OS/c1-14(6-8-12-3-4-13-8)10(15)9-7(11)2-5-16-9/h2-5H,6H2,1H3,(H,12,13)
InChIKeyHEUBYAFCCRWMKG-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.51
Rot. Bonds3

About 3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide

3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide (PubChem CID 63931220) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
PubChem CID63931220
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1sccc1Br
InChIInChI=1S/C10H10BrN3OS/c1-14(6-8-12-3-4-13-8)10(15)9-7(11)2-5-16-9/h2-5H,6H2,1H3,(H,12,13)
InChIKeyHEUBYAFCCRWMKG-UHFFFAOYSA-N
XLogP2.51
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-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

N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide
CID 78954717
4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63928272
3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 60778085
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide
CID 63939460
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
CID 63930376

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide (CID 63931220) is 3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide?
The InChIKey is HEUBYAFCCRWMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-14(6-8-12-3-4-13-8)10(15)9-7(11)2-5-16-9/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide?
3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide has a molecular weight of 300.18 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 63931220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).