N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide

C23H24FN3OS — CID 34768786

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide
SMILESCN(Cc1ccccc1F)C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2
InChIInChI=1S/C23H24FN3OS/c1-26(15-17-9-5-6-12-19(17)24)22(28)16-29-23-25-20-13-7-8-14-21(20)27(23)18-10-3-2-4-11-18/h2-6,9-12H,7-8,13-16H2,1H3
InChIKeyCNDOBZYRAKFTTE-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.64
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide

N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 34768786) has the molecular formula C23H24FN3OS and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide
PubChem CID34768786
Molecular FormulaC23H24FN3OS
Molecular Weight409.53 g/mol
Exact Mass409.16
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide
SMILESCN(Cc1ccccc1F)C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2
InChIInChI=1S/C23H24FN3OS/c1-26(15-17-9-5-6-12-19(17)24)22(28)16-29-23-25-20-13-7-8-14-21(20)27(23)18-10-3-2-4-11-18/h2-6,9-12H,7-8,13-16H2,1H3
InChIKeyCNDOBZYRAKFTTE-UHFFFAOYSA-N
XLogP4.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 8569553
2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 55400452
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]ethanone
CID 29458712
N-[(2-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 8682452
N-(3,5-dimethoxyphenyl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide
CID 36765566
[4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32932886
2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 112789832
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide
CID 40511109
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 43250307
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8846778
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 9199506
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 40682539

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide (CID 34768786) is N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide is CN(Cc1ccccc1F)C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is CNDOBZYRAKFTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3OS/c1-26(15-17-9-5-6-12-19(17)24)22(28)16-29-23-25-20-13-7-8-14-21(20)27(23)18-10-3-2-4-11-18/h2-6,9-12H,7-8,13-16H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 34768786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).