N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C21H24N4OS — CID 18201104

IUPACN-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NC3CCN(Cc4ccccc4)C3)[nH]c2c1
InChIInChI=1S/C21H24N4OS/c1-15-7-8-18-19(11-15)24-21(23-18)27-14-20(26)22-17-9-10-25(13-17)12-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyWLPSSRZJZURSAO-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.35
Rot. Bonds6

About N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 18201104) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID18201104
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NC3CCN(Cc4ccccc4)C3)[nH]c2c1
InChIInChI=1S/C21H24N4OS/c1-15-7-8-18-19(11-15)24-21(23-18)27-14-20(26)22-17-9-10-25(13-17)12-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyWLPSSRZJZURSAO-UHFFFAOYSA-N
XLogP3.35
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 24576550
(2S,4R)-1-methyl-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]pyrrolidine-2-carboxylic acid
CID 91835335
N-(1,1-dioxothian-4-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 91783867
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-phenylmethoxyacetamide
CID 51139881
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25348020
N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 8682410
2-[1-benzyl-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
CID 162799248
N-(1-benzylpyrrolidin-3-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 55378288
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-cyclopentyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 950856
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylpropyl)acetamide
CID 16524013

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 18201104) is N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is Cc1ccc2nc(SCC(=O)NC3CCN(Cc4ccccc4)C3)[nH]c2c1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is WLPSSRZJZURSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15-7-8-18-19(11-15)24-21(23-18)27-14-20(26)22-17-9-10-25(13-17)12-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 380.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 18201104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).