N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide

C22H24N4O3S — CID 41298746

IUPACN-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
SMILESCOc1ccc(-n2c(SCC(=O)N(C)CC(=O)NC3CC3)nc3ccccc32)cc1
InChIInChI=1S/C22H24N4O3S/c1-25(13-20(27)23-15-7-8-15)21(28)14-30-22-24-18-5-3-4-6-19(18)26(22)16-9-11-17(29-2)12-10-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,23,27)
InChIKeyUUFWGJVUXJMUGJ-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.86
Rot. Bonds8

About N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide (PubChem CID 41298746) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
PubChem CID41298746
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
SMILESCOc1ccc(-n2c(SCC(=O)N(C)CC(=O)NC3CC3)nc3ccccc32)cc1
InChIInChI=1S/C22H24N4O3S/c1-25(13-20(27)23-15-7-8-15)21(28)14-30-22-24-18-5-3-4-6-19(18)26(22)16-9-11-17(29-2)12-10-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,23,27)
InChIKeyUUFWGJVUXJMUGJ-UHFFFAOYSA-N
XLogP2.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide (CID 41298746) is N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide is COc1ccc(-n2c(SCC(=O)N(C)CC(=O)NC3CC3)nc3ccccc32)cc1.
What is the InChIKey of N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide?
The InChIKey is UUFWGJVUXJMUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-25(13-20(27)23-15-7-8-15)21(28)14-30-22-24-18-5-3-4-6-19(18)26(22)16-9-11-17(29-2)12-10-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,23,27).
What are the key properties of N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide?
N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide has a molecular weight of 424.53 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide is sourced from PubChem (CID 41298746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).