N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide

C18H27N3OS — CID 171443105

IUPACN,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCc1cc2nc(SCC(=O)N(C(C)C)C(C)C)n(C)c2cc1C
InChIInChI=1S/C18H27N3OS/c1-11(2)21(12(3)4)17(22)10-23-18-19-15-8-13(5)14(6)9-16(15)20(18)7/h8-9,11-12H,10H2,1-7H3
InChIKeyDZBNKTILDSDAFW-UHFFFAOYSA-N
MW333.50 g/mol
LogP3.93
Rot. Bonds5

About N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide

N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 171443105) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID171443105
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC NameN,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCc1cc2nc(SCC(=O)N(C(C)C)C(C)C)n(C)c2cc1C
InChIInChI=1S/C18H27N3OS/c1-11(2)21(12(3)4)17(22)10-23-18-19-15-8-13(5)14(6)9-16(15)20(18)7/h8-9,11-12H,10H2,1-7H3
InChIKeyDZBNKTILDSDAFW-UHFFFAOYSA-N
XLogP3.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide (CID 171443105) is N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide is Cc1cc2nc(SCC(=O)N(C(C)C)C(C)C)n(C)c2cc1C.
What is the InChIKey of N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is DZBNKTILDSDAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-11(2)21(12(3)4)17(22)10-23-18-19-15-8-13(5)14(6)9-16(15)20(18)7/h8-9,11-12H,10H2,1-7H3.
What are the key properties of N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide?
N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 333.50 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 171443105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).