1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole

C15H22N2O2S — CID 116626944

IUPAC1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1CCCS(=O)(=O)CC
InChIInChI=1S/C15H22N2O2S/c1-3-8-15-16-13-9-5-6-10-14(13)17(15)11-7-12-20(18,19)4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3
InChIKeyBXSMYSOACVCQPP-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.81
Rot. Bonds7

About 1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole

1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole (PubChem CID 116626944) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
PubChem CID116626944
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1CCCS(=O)(=O)CC
InChIInChI=1S/C15H22N2O2S/c1-3-8-15-16-13-9-5-6-10-14(13)17(15)11-7-12-20(18,19)4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3
InChIKeyBXSMYSOACVCQPP-UHFFFAOYSA-N
XLogP2.81
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole
CID 79762327
2-[1-(3-ethylsulfonylpropyl)benzimidazol-2-yl]ethanethioamide
CID 65096873
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632150
1-pent-4-ynyl-2-propylbenzimidazole
CID 113374435
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
CID 115970737
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 115970736
1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole (CID 116626944) is 1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole is CCCc1nc2ccccc2n1CCCS(=O)(=O)CC.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole?
The InChIKey is BXSMYSOACVCQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-8-15-16-13-9-5-6-10-14(13)17(15)11-7-12-20(18,19)4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole?
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole has a molecular weight of 294.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole is sourced from PubChem (CID 116626944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).