N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide

C19H15N3OS — CID 2352248

IUPACN-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H15N3OS/c23-18(22-19-20-16-7-3-4-8-17(16)21-19)12-24-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,21,22,23)
InChIKeyMPBKSISDPKDPER-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.45
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide

N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 2352248) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide
PubChem CID2352248
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H15N3OS/c23-18(22-19-20-16-7-3-4-8-17(16)21-19)12-24-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,21,22,23)
InChIKeyMPBKSISDPKDPER-UHFFFAOYSA-N
XLogP4.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide (CID 2352248) is N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2c1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is MPBKSISDPKDPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-18(22-19-20-16-7-3-4-8-17(16)21-19)12-24-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,21,22,23).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide?
N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 333.42 g/mol, XLogP of 4.45, 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-yl)-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 2352248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).