N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide

C21H17N3OS — CID 1340147

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H17N3OS/c25-20(14-26-17-6-2-1-3-7-17)22-16-12-10-15(11-13-16)21-23-18-8-4-5-9-19(18)24-21/h1-13H,14H2,(H,22,25)(H,23,24)
InChIKeyBMZWCKKORAOHAV-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.96
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide (PubChem CID 1340147) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide
PubChem CID1340147
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H17N3OS/c25-20(14-26-17-6-2-1-3-7-17)22-16-12-10-15(11-13-16)21-23-18-8-4-5-9-19(18)24-21/h1-13H,14H2,(H,22,25)(H,23,24)
InChIKeyBMZWCKKORAOHAV-UHFFFAOYSA-N
XLogP4.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide (CID 1340147) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide?
The InChIKey is BMZWCKKORAOHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c25-20(14-26-17-6-2-1-3-7-17)22-16-12-10-15(11-13-16)21-23-18-8-4-5-9-19(18)24-21/h1-13H,14H2,(H,22,25)(H,23,24).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide has a molecular weight of 359.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 1340147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).