1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole

C14H24N2O2S — CID 103857979

IUPAC1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1CCS(=O)(=O)C(C)(C)C)CCCC2
InChIInChI=1S/C14H24N2O2S/c1-11-15-12-7-5-6-8-13(12)16(11)9-10-19(17,18)14(2,3)4/h5-10H2,1-4H3
InChIKeyVLNICVHFNAATPL-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.28
Rot. Bonds3

About 1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole

1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 103857979) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID103857979
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1CCS(=O)(=O)C(C)(C)C)CCCC2
InChIInChI=1S/C14H24N2O2S/c1-11-15-12-7-5-6-8-13(12)16(11)9-10-19(17,18)14(2,3)4/h5-10H2,1-4H3
InChIKeyVLNICVHFNAATPL-UHFFFAOYSA-N
XLogP2.28
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 116626532
2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole
CID 115773626
2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol
CID 106810123
4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole
CID 115773628
6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 141264101
1-but-2-ynyl-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 115773580
2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 113343350
2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole
CID 166685535
N-ethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 116626652
1-[(3,5-dimethylphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626608
4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole
CID 116626719
1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626591

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 103857979) is 1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole is Cc1nc2c(n1CCS(=O)(=O)C(C)(C)C)CCCC2.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is VLNICVHFNAATPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11-15-12-7-5-6-8-13(12)16(11)9-10-19(17,18)14(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 284.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 103857979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).