N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide

C22H18FN3OS — CID 3998130

IUPACN-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESCn1c(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H18FN3OS/c1-26-19-10-6-5-9-18(19)25-22(26)28-20(15-7-3-2-4-8-15)21(27)24-17-13-11-16(23)12-14-17/h2-14,20H,1H3,(H,24,27)
InChIKeyFTVULMRIUCRGKL-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.18
Rot. Bonds5

About N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide

N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 3998130) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide
PubChem CID3998130
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC NameN-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESCn1c(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H18FN3OS/c1-26-19-10-6-5-9-18(19)25-22(26)28-20(15-7-3-2-4-8-15)21(27)24-17-13-11-16(23)12-14-17/h2-14,20H,1H3,(H,24,27)
InChIKeyFTVULMRIUCRGKL-UHFFFAOYSA-N
XLogP5.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide
CID 46484530
(2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 40809541
(2R)-N-(4-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-2-phenylacetamide
CID 2124500
N-(4-fluorophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18078083
ethyl 2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetate
CID 13457848
(2S)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 2505068
(2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 2505071
(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 25334103
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 4793006
(2R)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 2082114
(2S)-N-(4-fluorophenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 41141675
N-(2,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630035

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide (CID 3998130) is N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide is Cn1c(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is FTVULMRIUCRGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-26-19-10-6-5-9-18(19)25-22(26)28-20(15-7-3-2-4-8-15)21(27)24-17-13-11-16(23)12-14-17/h2-14,20H,1H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide?
N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 391.47 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 3998130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).