N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide

C14H12BrN3OS — CID 71844437

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NCc3cc(Br)cs3)ccc21
InChIInChI=1S/C14H12BrN3OS/c1-18-8-17-12-4-9(2-3-13(12)18)14(19)16-6-11-5-10(15)7-20-11/h2-5,7-8H,6H2,1H3,(H,16,19)
InChIKeyYHYWYJHEXPTSTB-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.33
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide (PubChem CID 71844437) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide
PubChem CID71844437
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NCc3cc(Br)cs3)ccc21
InChIInChI=1S/C14H12BrN3OS/c1-18-8-17-12-4-9(2-3-13(12)18)14(19)16-6-11-5-10(15)7-20-11/h2-5,7-8H,6H2,1H3,(H,16,19)
InChIKeyYHYWYJHEXPTSTB-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

N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 62299080
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
CID 110692569
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81295807
N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47250304
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 60794568
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-[(4-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998997
1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide
CID 100775917
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide (CID 71844437) is N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)NCc3cc(Br)cs3)ccc21.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide?
The InChIKey is YHYWYJHEXPTSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c1-18-8-17-12-4-9(2-3-13(12)18)14(19)16-6-11-5-10(15)7-20-11/h2-5,7-8H,6H2,1H3,(H,16,19).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-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 N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 71844437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).