N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide

C17H22N4O2S — CID 118771248

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
SMILESCCn1c(CNC(=O)C2CSC(C)(C)C(=O)N2)nc2ccccc21
InChIInChI=1S/C17H22N4O2S/c1-4-21-13-8-6-5-7-11(13)19-14(21)9-18-15(22)12-10-24-17(2,3)16(23)20-12/h5-8,12H,4,9-10H2,1-3H3,(H,18,22)(H,20,23)
InChIKeyGEDCUJGAIPPWDM-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.68
Rot. Bonds4

About N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide (PubChem CID 118771248) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
PubChem CID118771248
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
SMILESCCn1c(CNC(=O)C2CSC(C)(C)C(=O)N2)nc2ccccc21
InChIInChI=1S/C17H22N4O2S/c1-4-21-13-8-6-5-7-11(13)19-14(21)9-18-15(22)12-10-24-17(2,3)16(23)20-12/h5-8,12H,4,9-10H2,1-3H3,(H,18,22)(H,20,23)
InChIKeyGEDCUJGAIPPWDM-UHFFFAOYSA-N
XLogP1.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
(3S)-6,6-dimethyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 137036840
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75768200
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 46970605
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51305225
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18142627
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 71684963
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 47012382
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107003948

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide (CID 118771248) is N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide is CCn1c(CNC(=O)C2CSC(C)(C)C(=O)N2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
The InChIKey is GEDCUJGAIPPWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-21-13-8-6-5-7-11(13)19-14(21)9-18-15(22)12-10-24-17(2,3)16(23)20-12/h5-8,12H,4,9-10H2,1-3H3,(H,18,22)(H,20,23).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 118771248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).