4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide

C17H17N3O2S — CID 4232472

IUPAC4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2S/c21-10-9-18-16(22)13-7-5-12(6-8-13)11-23-17-19-14-3-1-2-4-15(14)20-17/h1-8,21H,9-11H2,(H,18,22)(H,19,20)
InChIKeyNDMJIXSPWUEIDH-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.58
Rot. Bonds6

About 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide (PubChem CID 4232472) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide
PubChem CID4232472
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2S/c21-10-9-18-16(22)13-7-5-12(6-8-13)11-23-17-19-14-3-1-2-4-15(14)20-17/h1-8,21H,9-11H2,(H,18,22)(H,19,20)
InChIKeyNDMJIXSPWUEIDH-UHFFFAOYSA-N
XLogP2.58
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide (CID 4232472) is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccc(CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide?
The InChIKey is NDMJIXSPWUEIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-10-9-18-16(22)13-7-5-12(6-8-13)11-23-17-19-14-3-1-2-4-15(14)20-17/h1-8,21H,9-11H2,(H,18,22)(H,19,20).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide?
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide has a molecular weight of 327.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 4232472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).