N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide

C17H17N3OS — CID 134018137

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H17N3OS/c1-11-7-8-12(22-2)9-13(11)17(21)18-10-16-19-14-5-3-4-6-15(14)20-16/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySDIHRQHGJKEXKM-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.52
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide (PubChem CID 134018137) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide
PubChem CID134018137
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H17N3OS/c1-11-7-8-12(22-2)9-13(11)17(21)18-10-16-19-14-5-3-4-6-15(14)20-16/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySDIHRQHGJKEXKM-UHFFFAOYSA-N
XLogP3.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide
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2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
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N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
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N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 5297506
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
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N-(1H-benzimidazol-2-ylmethyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
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N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292714
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide
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CID 51143940

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide (CID 134018137) is N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide is CSc1ccc(C)c(C(=O)NCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is SDIHRQHGJKEXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-11-7-8-12(22-2)9-13(11)17(21)18-10-16-19-14-5-3-4-6-15(14)20-16/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 311.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 134018137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).