1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole

C19H28N2O2S — CID 11660288

IUPAC1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole
SMILESCC(C)S(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CC1
InChIInChI=1S/C19H28N2O2S/c1-13(2)24(22,23)15-8-9-17-16(10-15)20-18(11-19(3,4)5)21(17)12-14-6-7-14/h8-10,13-14H,6-7,11-12H2,1-5H3
InChIKeyQOIHZTWJPUIHKH-UHFFFAOYSA-N
MW348.51 g/mol
LogP4.22
Rot. Bonds5

About 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole

1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole (PubChem CID 11660288) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole
PubChem CID11660288
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole
SMILESCC(C)S(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CC1
InChIInChI=1S/C19H28N2O2S/c1-13(2)24(22,23)15-8-9-17-16(10-15)20-18(11-19(3,4)5)21(17)12-14-6-7-14/h8-10,13-14H,6-7,11-12H2,1-5H3
InChIKeyQOIHZTWJPUIHKH-UHFFFAOYSA-N
XLogP4.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole?
The IUPAC name of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole (CID 11660288) is 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole?
The canonical SMILES for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole is CC(C)S(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole?
The InChIKey is QOIHZTWJPUIHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-13(2)24(22,23)15-8-9-17-16(10-15)20-18(11-19(3,4)5)21(17)12-14-6-7-14/h8-10,13-14H,6-7,11-12H2,1-5H3.
What are the key properties of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole?
1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole has a molecular weight of 348.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole is sourced from PubChem (CID 11660288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).