N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide

C25H28N4O2S — CID 3224647

IUPACN-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc21)NC1CCCC1
InChIInChI=1S/C25H28N4O2S/c30-23(26-20-9-3-4-10-20)16-29-22-12-6-5-11-21(22)27-25(29)32-17-24(31)28-14-13-18-7-1-2-8-19(18)15-28/h1-2,5-8,11-12,20H,3-4,9-10,13-17H2,(H,26,30)
InChIKeyIHBFOUZRTQBFID-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.77
Rot. Bonds6

About N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide

N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide (PubChem CID 3224647) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
PubChem CID3224647
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC NameN-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc21)NC1CCCC1
InChIInChI=1S/C25H28N4O2S/c30-23(26-20-9-3-4-10-20)16-29-22-12-6-5-11-21(22)27-25(29)32-17-24(31)28-14-13-18-7-1-2-8-19(18)15-28/h1-2,5-8,11-12,20H,3-4,9-10,13-17H2,(H,26,30)
InChIKeyIHBFOUZRTQBFID-UHFFFAOYSA-N
XLogP3.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide 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

N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3229854
2-[2-(2-amino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-cyclohexylacetamide
CID 3224652
N-cyclopentyl-2-[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3224649
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
N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3224772
2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N,N-dimethylacetamide
CID 654945
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 55406074
2-(1-cyclopropylimidazol-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 42257652
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylethanone
CID 40507352
N-cyclopentyl-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 71899062
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
CID 43812795

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide (CID 3224647) is N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide is O=C(Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc21)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide?
The InChIKey is IHBFOUZRTQBFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c30-23(26-20-9-3-4-10-20)16-29-22-12-6-5-11-21(22)27-25(29)32-17-24(31)28-14-13-18-7-1-2-8-19(18)15-28/h1-2,5-8,11-12,20H,3-4,9-10,13-17H2,(H,26,30).
What are the key properties of N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide?
N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide has a molecular weight of 448.59 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide is sourced from PubChem (CID 3224647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).