N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide

C13H12N4OS — CID 110743759

IUPACN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCc1csc(N(C)C(=O)c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C13H12N4OS/c1-8-6-19-13(16-8)17(2)12(18)9-3-4-10-11(5-9)15-7-14-10/h3-7H,1-2H3,(H,14,15)
InChIKeySNPYQLWRJVIQRI-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.60
Rot. Bonds2

About N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide

N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 110743759) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
PubChem CID110743759
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCc1csc(N(C)C(=O)c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C13H12N4OS/c1-8-6-19-13(16-8)17(2)12(18)9-3-4-10-11(5-9)15-7-14-10/h3-7H,1-2H3,(H,14,15)
InChIKeySNPYQLWRJVIQRI-UHFFFAOYSA-N
XLogP2.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 110752301
3-methoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110723491
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 60651360
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 110723514
3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide
CID 115160757
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 43397885
N-methyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43582173
N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 29025706
N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide (CID 110743759) is N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide is Cc1csc(N(C)C(=O)c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is SNPYQLWRJVIQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-6-19-13(16-8)17(2)12(18)9-3-4-10-11(5-9)15-7-14-10/h3-7H,1-2H3,(H,14,15).
What are the key properties of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide?
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110743759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).