1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol

C20H30N2O3S — CID 11501747

IUPAC1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol
SMILESCC(C)(C)Cc1nc2cc(S(=O)(=O)CC(C)(C)O)ccc2n1CC1CC1
InChIInChI=1S/C20H30N2O3S/c1-19(2,3)11-18-21-16-10-15(26(24,25)13-20(4,5)23)8-9-17(16)22(18)12-14-6-7-14/h8-10,14,23H,6-7,11-13H2,1-5H3
InChIKeyNVRUPYPCQDLPFB-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.58
Rot. Bonds6

About 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol

1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol (PubChem CID 11501747) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol
PubChem CID11501747
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol
SMILESCC(C)(C)Cc1nc2cc(S(=O)(=O)CC(C)(C)O)ccc2n1CC1CC1
InChIInChI=1S/C20H30N2O3S/c1-19(2,3)11-18-21-16-10-15(26(24,25)13-20(4,5)23)8-9-17(16)22(18)12-14-6-7-14/h8-10,14,23H,6-7,11-13H2,1-5H3
InChIKeyNVRUPYPCQDLPFB-UHFFFAOYSA-N
XLogP3.58
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol (CID 11501747) is 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol is CC(C)(C)Cc1nc2cc(S(=O)(=O)CC(C)(C)O)ccc2n1CC1CC1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol?
The InChIKey is NVRUPYPCQDLPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-19(2,3)11-18-21-16-10-15(26(24,25)13-20(4,5)23)8-9-17(16)22(18)12-14-6-7-14/h8-10,14,23H,6-7,11-13H2,1-5H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol?
1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol has a molecular weight of 378.54 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropan-2-ol is sourced from PubChem (CID 11501747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).