N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide

C18H22N4O3S — CID 3224772

IUPACN-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1CC(=O)N1CCOCC1)NC1CC1
InChIInChI=1S/C18H22N4O3S/c23-16(19-13-5-6-13)12-26-18-20-14-3-1-2-4-15(14)22(18)11-17(24)21-7-9-25-10-8-21/h1-4,13H,5-12H2,(H,19,23)
InChIKeyARRNKRUBVHDQHF-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.27
Rot. Bonds6

About N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide

N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 3224772) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID3224772
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1CC(=O)N1CCOCC1)NC1CC1
InChIInChI=1S/C18H22N4O3S/c23-16(19-13-5-6-13)12-26-18-20-14-3-1-2-4-15(14)22(18)11-17(24)21-7-9-25-10-8-21/h1-4,13H,5-12H2,(H,19,23)
InChIKeyARRNKRUBVHDQHF-UHFFFAOYSA-N
XLogP1.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 3224778
2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 601048
N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3229854
2-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
CID 24793357
2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N,N-dimethylacetamide
CID 654945
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716
N-cyclopentyl-2-[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3224649
N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902534
2-[2-(2-amino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-cyclohexylacetamide
CID 3224652
methyl 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetate
CID 4085274
N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3224647
1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide (CID 3224772) is N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2n1CC(=O)N1CCOCC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is ARRNKRUBVHDQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c23-16(19-13-5-6-13)12-26-18-20-14-3-1-2-4-15(14)22(18)11-17(24)21-7-9-25-10-8-21/h1-4,13H,5-12H2,(H,19,23).
What are the key properties of N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide?
N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 374.47 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3224772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).