N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide

C14H17N3OS — CID 16518005

IUPACN-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
SMILESC=CCn1c(SCC(=O)NCC)nc2ccccc21
InChIInChI=1S/C14H17N3OS/c1-3-9-17-12-8-6-5-7-11(12)16-14(17)19-10-13(18)15-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18)
InChIKeyFTJHMWFFSCDXKQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.45
Rot. Bonds6

About N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide

N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 16518005) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID16518005
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
SMILESC=CCn1c(SCC(=O)NCC)nc2ccccc21
InChIInChI=1S/C14H17N3OS/c1-3-9-17-12-8-6-5-7-11(12)16-14(17)19-10-13(18)15-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18)
InChIKeyFTJHMWFFSCDXKQ-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-N-prop-2-ynylacetamide
CID 40668415
N-(methylcarbamoyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 4828262
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43220154
N-[(1S)-1-phenylethyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 7251190
N-(2,5-dimethylpyrazol-3-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 51287626
(2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
CID 40654359
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
2-(2-methylprop-2-enylsulfanyl)-1-prop-2-enylbenzimidazole
CID 46731807
N-(2-bromophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518061
4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide
CID 42089104
N-[(4-methoxyphenyl)carbamoyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518067
N-(2-chloro-4-methylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 7251170

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide (CID 16518005) is N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide is C=CCn1c(SCC(=O)NCC)nc2ccccc21.
What is the InChIKey of N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is FTJHMWFFSCDXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-9-17-12-8-6-5-7-11(12)16-14(17)19-10-13(18)15-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18).
What are the key properties of N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide?
N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 16518005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).