2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide

C19H27N3OS — CID 78864043

IUPAC2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide
SMILESCCC1CCCCC1NC(=O)CSC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H27N3OS/c1-3-14-8-4-5-9-15(14)20-18(23)12-24-13(2)19-21-16-10-6-7-11-17(16)22-19/h6-7,10-11,13-15H,3-5,8-9,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNXFBEQOUDWNWGN-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.44
Rot. Bonds6

About 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide

2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide (PubChem CID 78864043) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide
PubChem CID78864043
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide
SMILESCCC1CCCCC1NC(=O)CSC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H27N3OS/c1-3-14-8-4-5-9-15(14)20-18(23)12-24-13(2)19-21-16-10-6-7-11-17(16)22-19/h6-7,10-11,13-15H,3-5,8-9,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNXFBEQOUDWNWGN-UHFFFAOYSA-N
XLogP4.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide
CID 119610093
N-(2-adamantyl)-2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylacetamide
CID 25350346
3-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86961027
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111560551
2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-ethylacetamide
CID 78815916
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 112822452
(2R)-2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]propanoic acid
CID 119369735
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 84830739
3-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-cyclopropylbenzamide
CID 17479561
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide
CID 78864061
N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide
CID 119522351
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(3-bromophenyl)acetamide
CID 8713855

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide?
The IUPAC name of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide (CID 78864043) is 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide is CCC1CCCCC1NC(=O)CSC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide?
The InChIKey is NXFBEQOUDWNWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-3-14-8-4-5-9-15(14)20-18(23)12-24-13(2)19-21-16-10-6-7-11-17(16)22-19/h6-7,10-11,13-15H,3-5,8-9,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide?
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide has a molecular weight of 345.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide is sourced from PubChem (CID 78864043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).