4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide

C10H9Br2N3OS — CID 63928272

IUPAC4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H9Br2N3OS/c1-15(5-8-13-2-3-14-8)10(16)7-4-6(11)9(12)17-7/h2-4H,5H2,1H3,(H,13,14)
InChIKeyBRMUSNJPVQRXND-UHFFFAOYSA-N
MW379.08 g/mol
LogP3.27
Rot. Bonds3

About 4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide

4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide (PubChem CID 63928272) has the molecular formula C10H9Br2N3OS and a molecular weight of 379.08 g/mol. Its IUPAC name is 4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
PubChem CID63928272
Molecular FormulaC10H9Br2N3OS
Molecular Weight379.08 g/mol
Exact Mass376.88
IUPAC Name4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H9Br2N3OS/c1-15(5-8-13-2-3-14-8)10(16)7-4-6(11)9(12)17-7/h2-4H,5H2,1H3,(H,13,14)
InChIKeyBRMUSNJPVQRXND-UHFFFAOYSA-N
XLogP3.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.08
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63931220
N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 63939663
5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 63939467
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715
3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide
CID 63939460
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212
5-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79978410
N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide
CID 81483467
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
4,5-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47180850
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide (CID 63928272) is 4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide?
The InChIKey is BRMUSNJPVQRXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3OS/c1-15(5-8-13-2-3-14-8)10(16)7-4-6(11)9(12)17-7/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide?
4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide has a molecular weight of 379.08 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 63928272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).