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

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CID 123191
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1-(propan-2-yl)-1H-1,3-benzodiazole-2-thiol
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10-prop-2-enyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide
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10-Butyl-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrobromide
CID 5340523
9-heptyl-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazole hydrochloride
CID 2850465
N,N-dietil-2,3-diidro-9H-imidazo[1,2-a]-benzimidazolo-9-etilamina dicloridrato
CID 2982623
9-(2-Piperidin-1-yl-ethyl)-2,9-dihydro-3H-benzo[d]imidazo[1,2-a]imidazole
CID 6603556
9-pentyl-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 9549661
10-hexyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
CID 16192799
3H-Imidazo(1,2-a)benzimidazole, 2,9-dihydro-9-methyl-, monohydrochloride
CID 2981229
3H-Imidazo(1,2-a)benzimidazole, 2,9-dihydro-9-butyl-, monohydrochloride
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).