N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide

C18H19N3OS — CID 17437395

IUPACN-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1nc2ccccc2n1-c1cccc(C)c1
InChIInChI=1S/C18H19N3OS/c1-3-19-17(22)12-23-18-20-15-9-4-5-10-16(15)21(18)14-8-6-7-13(2)11-14/h4-11H,3,12H2,1-2H3,(H,19,22)
InChIKeyITCUPJUKMHBZNC-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.56
Rot. Bonds5

About N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide

N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 17437395) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID17437395
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1nc2ccccc2n1-c1cccc(C)c1
InChIInChI=1S/C18H19N3OS/c1-3-19-17(22)12-23-18-20-15-9-4-5-10-16(15)21(18)14-8-6-7-13(2)11-14/h4-11H,3,12H2,1-2H3,(H,19,22)
InChIKeyITCUPJUKMHBZNC-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone
CID 4542824
N-butyl-2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2537093
1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole
CID 4565636
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
CID 16500228
(Z)-3-amino-2-[2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetyl]but-2-enenitrile
CID 98604745
N-[(3-methoxyphenyl)methyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 40550616
N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518005
N-(2-hydroxyphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 155969389
N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 7855874
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
N-ethyl-2-[[11-(3-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetamide
CID 2432591
2-[[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-ethylacetamide
CID 17419395

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide (CID 17437395) is N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide is CCNC(=O)CSc1nc2ccccc2n1-c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is ITCUPJUKMHBZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-19-17(22)12-23-18-20-15-9-4-5-10-16(15)21(18)14-8-6-7-13(2)11-14/h4-11H,3,12H2,1-2H3,(H,19,22).
What are the key properties of N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide?
N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 325.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 17437395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).