N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide

C18H17F2N3OS — CID 3961652

IUPACN-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc21
InChIInChI=1S/C18H17F2N3OS/c1-2-9-23-16-6-4-3-5-15(16)22-18(23)25-11-17(24)21-12-7-8-13(19)14(20)10-12/h3-8,10H,2,9,11H2,1H3,(H,21,24)
InChIKeyIAQZTQUYCNHIGH-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.46
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide

N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 3961652) has the molecular formula C18H17F2N3OS and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID3961652
Molecular FormulaC18H17F2N3OS
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc21
InChIInChI=1S/C18H17F2N3OS/c1-2-9-23-16-6-4-3-5-15(16)22-18(23)25-11-17(24)21-12-7-8-13(19)14(20)10-12/h3-8,10H,2,9,11H2,1H3,(H,21,24)
InChIKeyIAQZTQUYCNHIGH-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 4006012
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742
N-(3,4-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171467
N-(3-chloro-4-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 40926754
N-(2,6-difluorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7246603
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide
CID 18279761
N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide
CID 46606184
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
CID 55979578
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
N-(3,5-dimethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 1142140
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171496

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide (CID 3961652) is N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide is CCCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc21.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is IAQZTQUYCNHIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3OS/c1-2-9-23-16-6-4-3-5-15(16)22-18(23)25-11-17(24)21-12-7-8-13(19)14(20)10-12/h3-8,10H,2,9,11H2,1H3,(H,21,24).
What are the key properties of N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide?
N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 361.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 3961652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).