N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide

C16H15N3O2S — CID 2536883

IUPACN-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C16H15N3O2S/c1-21-14-9-10(22-2)7-8-11(14)15(20)19-16-17-12-5-3-4-6-13(12)18-16/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyAJNXREZTYLMNJQ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.55
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide

N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 2536883) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
PubChem CID2536883
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C16H15N3O2S/c1-21-14-9-10(22-2)7-8-11(14)15(20)19-16-17-12-5-3-4-6-13(12)18-16/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyAJNXREZTYLMNJQ-UHFFFAOYSA-N
XLogP3.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide (CID 2536883) is N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is AJNXREZTYLMNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-21-14-9-10(22-2)7-8-11(14)15(20)19-16-17-12-5-3-4-6-13(12)18-16/h3-9H,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide?
N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 313.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 2536883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).