2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide

C21H28N4O2S — CID 41480326

IUPAC2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CSc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C21H28N4O2S/c1-24(13-19(26)22-15-11-12-15)20(27)14-28-21-23-17-9-5-6-10-18(17)25(21)16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,26)
InChIKeyKNZDMFOZTJVFTP-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.37
Rot. Bonds7

About 2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide

2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 41480326) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide
PubChem CID41480326
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CSc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C21H28N4O2S/c1-24(13-19(26)22-15-11-12-15)20(27)14-28-21-23-17-9-5-6-10-18(17)25(21)16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,26)
InChIKeyKNZDMFOZTJVFTP-UHFFFAOYSA-N
XLogP3.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 41298746
2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40972087
2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N,N-dimethylacetamide
CID 654945
2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
CID 62415191
N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 25337709
2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide
CID 3214157
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
N-cyclopropyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
CID 8918184
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
2-[2-(2-amino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-cyclohexylacetamide
CID 3224652
1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone
CID 5298315

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide (CID 41480326) is 2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)C(=O)CSc1nc2ccccc2n1C1CCCCC1.
What is the InChIKey of 2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is KNZDMFOZTJVFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-24(13-19(26)22-15-11-12-15)20(27)14-28-21-23-17-9-5-6-10-18(17)25(21)16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,26).
What are the key properties of 2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 400.55 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 41480326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).