N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide

C22H19N3OS — CID 18586804

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C22H19N3OS/c1-27-18-11-9-15(10-12-18)13-21(26)23-17-6-4-5-16(14-17)22-24-19-7-2-3-8-20(19)25-22/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyJCRYEKAWZRVCHG-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.13
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 18586804) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
PubChem CID18586804
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C22H19N3OS/c1-27-18-11-9-15(10-12-18)13-21(26)23-17-6-4-5-16(14-17)22-24-19-7-2-3-8-20(19)25-22/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyJCRYEKAWZRVCHG-UHFFFAOYSA-N
XLogP5.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
2-(3-methylsulfanylphenyl)-1H-benzimidazole
CID 168553583
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide
CID 2301170
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
dimethyl (E)-2-[3-(1H-benzimidazol-2-yl)anilino]but-2-enedioate
CID 168568180
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 15994533
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 112803411
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide
CID 18283756
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide (CID 18586804) is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide is CSc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is JCRYEKAWZRVCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-27-18-11-9-15(10-12-18)13-21(26)23-17-6-4-5-16(14-17)22-24-19-7-2-3-8-20(19)25-22/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 373.48 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 18586804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).