N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide

C20H26N4O2S — CID 3229854

IUPACN-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
SMILESCC1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC2CC2)C1
InChIInChI=1S/C20H26N4O2S/c1-14-5-4-10-23(11-14)19(26)13-27-20-22-16-6-2-3-7-17(16)24(20)12-18(25)21-15-8-9-15/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,21,25)
InChIKeyLHWIGECEFMQETH-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.67
Rot. Bonds6

About N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide

N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide (PubChem CID 3229854) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
PubChem CID3229854
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
SMILESCC1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC2CC2)C1
InChIInChI=1S/C20H26N4O2S/c1-14-5-4-10-23(11-14)19(26)13-27-20-22-16-6-2-3-7-17(16)24(20)12-18(25)21-15-8-9-15/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,21,25)
InChIKeyLHWIGECEFMQETH-UHFFFAOYSA-N
XLogP2.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide with MolForge

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Related Compounds

2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 17413749
2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 1470375
N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3224647
N-cyclopentyl-2-[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3224649
N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3224772
2-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
CID 24793357
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716
2-[2-(2-amino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-cyclohexylacetamide
CID 3224652
2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 3224778
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 9360878
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
3-methyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 7421358

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide (CID 3229854) is N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide is CC1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide?
The InChIKey is LHWIGECEFMQETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14-5-4-10-23(11-14)19(26)13-27-20-22-16-6-2-3-7-17(16)24(20)12-18(25)21-15-8-9-15/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,21,25).
What are the key properties of N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide?
N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide is sourced from PubChem (CID 3229854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).