1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine

C16H27N3S — CID 167077140

IUPAC1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine
SMILESCC(C)n1c(=NS(C)(C)C)n(C(C)C)c2ccccc21
InChIInChI=1S/C16H27N3S/c1-12(2)18-14-10-8-9-11-15(14)19(13(3)4)16(18)17-20(5,6)7/h8-13H,1-7H3
InChIKeySQKTXEDPWPJYCX-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.11
Rot. Bonds3

About 1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine

1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine (PubChem CID 167077140) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine
PubChem CID167077140
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine
SMILESCC(C)n1c(=NS(C)(C)C)n(C(C)C)c2ccccc21
InChIInChI=1S/C16H27N3S/c1-12(2)18-14-10-8-9-11-15(14)19(13(3)4)16(18)17-20(5,6)7/h8-13H,1-7H3
InChIKeySQKTXEDPWPJYCX-UHFFFAOYSA-N
XLogP4.11
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 123191
CID 123191
CID 3066878
CID 3066878
CID 720070
CID 720070
CID 16192900
CID 16192900
CID 5340523
CID 5340523
CID 2850465
CID 2850465
CID 2982623
CID 2982623
CID 6603556
CID 6603556
CID 9549661
CID 9549661
CID 16192799
CID 16192799
CID 2981229
CID 2981229
CID 3066879
CID 3066879

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine?
The IUPAC name of 1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine (CID 167077140) is 1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine.
What is the SMILES notation for 1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine?
The canonical SMILES for 1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine is CC(C)n1c(=NS(C)(C)C)n(C(C)C)c2ccccc21.
What is the InChIKey of 1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine?
The InChIKey is SQKTXEDPWPJYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12(2)18-14-10-8-9-11-15(14)19(13(3)4)16(18)17-20(5,6)7/h8-13H,1-7H3.
What are the key properties of 1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine?
1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine has a molecular weight of 293.48 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine is sourced from PubChem (CID 167077140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).