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

C20H29N3O3S — CID 24750597

IUPAC2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide
SMILESCC(C)(C)Cc1nc2cc(S(=O)(=O)C(C)(C)C(N)=O)ccc2n1CC1CC1
InChIInChI=1S/C20H29N3O3S/c1-19(2,3)11-17-22-15-10-14(27(25,26)20(4,5)18(21)24)8-9-16(15)23(17)12-13-6-7-13/h8-10,13H,6-7,11-12H2,1-5H3,(H2,21,24)
InChIKeyUODSBEAPZZOMEY-UHFFFAOYSA-N
MW391.54 g/mol
LogP3.07
Rot. Bonds6

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

2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide (PubChem CID 24750597) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide
PubChem CID24750597
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide
SMILESCC(C)(C)Cc1nc2cc(S(=O)(=O)C(C)(C)C(N)=O)ccc2n1CC1CC1
InChIInChI=1S/C20H29N3O3S/c1-19(2,3)11-17-22-15-10-14(27(25,26)20(4,5)18(21)24)8-9-16(15)23(17)12-13-6-7-13/h8-10,13H,6-7,11-12H2,1-5H3,(H2,21,24)
InChIKeyUODSBEAPZZOMEY-UHFFFAOYSA-N
XLogP3.07
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide?
The IUPAC name of 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide (CID 24750597) is 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide is CC(C)(C)Cc1nc2cc(S(=O)(=O)C(C)(C)C(N)=O)ccc2n1CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide?
The InChIKey is UODSBEAPZZOMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-19(2,3)11-17-22-15-10-14(27(25,26)20(4,5)18(21)24)8-9-16(15)23(17)12-13-6-7-13/h8-10,13H,6-7,11-12H2,1-5H3,(H2,21,24).
What are the key properties of 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide?
2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide has a molecular weight of 391.54 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-2-methylpropanamide is sourced from PubChem (CID 24750597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).