5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide

C14H12BrN3OS — CID 47161314

IUPAC5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
SMILESCn1c(CNC(=O)c2csc(Br)c2)nc2ccccc21
InChIInChI=1S/C14H12BrN3OS/c1-18-11-5-3-2-4-10(11)17-13(18)7-16-14(19)9-6-12(15)20-8-9/h2-6,8H,7H2,1H3,(H,16,19)
InChIKeyXUHKIYQKHULJFD-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.33
Rot. Bonds3

About 5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide

5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 47161314) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
PubChem CID47161314
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
SMILESCn1c(CNC(=O)c2csc(Br)c2)nc2ccccc21
InChIInChI=1S/C14H12BrN3OS/c1-18-11-5-3-2-4-10(11)17-13(18)7-16-14(19)9-6-12(15)20-8-9/h2-6,8H,7H2,1H3,(H,16,19)
InChIKeyXUHKIYQKHULJFD-UHFFFAOYSA-N
XLogP3.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 134012176
N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126797185
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 91961335
4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 27677632
methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate
CID 134050321
1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 105114477
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17009267
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide
CID 76861363

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide (CID 47161314) is 5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide is Cn1c(CNC(=O)c2csc(Br)c2)nc2ccccc21.
What is the InChIKey of 5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide?
The InChIKey is XUHKIYQKHULJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c1-18-11-5-3-2-4-10(11)17-13(18)7-16-14(19)9-6-12(15)20-8-9/h2-6,8H,7H2,1H3,(H,16,19).
What are the key properties of 5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide?
5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 350.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 47161314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).