N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

C18H18FN3OS — CID 37053385

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCc1ccc(CNC(=O)CSc2nc3ccccc3n2C)cc1F
InChIInChI=1S/C18H18FN3OS/c1-12-7-8-13(9-14(12)19)10-20-17(23)11-24-18-21-15-5-3-4-6-16(15)22(18)2/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyZWPLGVKQGNXKTC-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.43
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 37053385) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID37053385
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCc1ccc(CNC(=O)CSc2nc3ccccc3n2C)cc1F
InChIInChI=1S/C18H18FN3OS/c1-12-7-8-13(9-14(12)19)10-20-17(23)11-24-18-21-15-5-3-4-6-16(15)22(18)2/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyZWPLGVKQGNXKTC-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 55465106
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 37283897
N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide
CID 166196952
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
ethyl 4-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoate
CID 51139099
N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17417102
N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42310783
N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17405689
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 42465425
N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 41472985
N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36727311

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 37053385) is N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is Cc1ccc(CNC(=O)CSc2nc3ccccc3n2C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is ZWPLGVKQGNXKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-12-7-8-13(9-14(12)19)10-20-17(23)11-24-18-21-15-5-3-4-6-16(15)22(18)2/h3-9H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 343.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 37053385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).