2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide

C22H26N4O2S — CID 78864061

IUPAC2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide
SMILESCC(SCC(=O)NCc1cccnc1OC1CCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H26N4O2S/c1-15(21-25-18-10-4-5-11-19(18)26-21)29-14-20(27)24-13-16-7-6-12-23-22(16)28-17-8-2-3-9-17/h4-7,10-12,15,17H,2-3,8-9,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyOZJPNFLMHREYMN-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.39
Rot. Bonds8

About 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide

2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide (PubChem CID 78864061) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide
PubChem CID78864061
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide
SMILESCC(SCC(=O)NCc1cccnc1OC1CCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H26N4O2S/c1-15(21-25-18-10-4-5-11-19(18)26-21)29-14-20(27)24-13-16-7-6-12-23-22(16)28-17-8-2-3-9-17/h4-7,10-12,15,17H,2-3,8-9,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyOZJPNFLMHREYMN-UHFFFAOYSA-N
XLogP4.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111560551
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
CID 46434537
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide
CID 78864043
2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 25347930
3-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86961027
2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-ethylacetamide
CID 78815916
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 86907323
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 124742659
N-[2-(aminomethyl)cyclohexyl]-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide
CID 119610093
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 112794844
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439314
(2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 51942830

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide (CID 78864061) is 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide is CC(SCC(=O)NCc1cccnc1OC1CCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide?
The InChIKey is OZJPNFLMHREYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15(21-25-18-10-4-5-11-19(18)26-21)29-14-20(27)24-13-16-7-6-12-23-22(16)28-17-8-2-3-9-17/h4-7,10-12,15,17H,2-3,8-9,13-14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide?
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 78864061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).