5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole

C19H27N3O2S — CID 58513574

IUPAC5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole
SMILESCC(C)(C)Cc1nc2cc(S(=O)(=O)C3CNC3)ccc2n1CC1CC1
InChIInChI=1S/C19H27N3O2S/c1-19(2,3)9-18-21-16-8-14(25(23,24)15-10-20-11-15)6-7-17(16)22(18)12-13-4-5-13/h6-8,13,15,20H,4-5,9-12H2,1-3H3
InChIKeyCJYHCWLUWFMNQZ-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.78
Rot. Bonds5

About 5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole

5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole (PubChem CID 58513574) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole.

Molecular Properties

Compound Name5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole
PubChem CID58513574
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole
SMILESCC(C)(C)Cc1nc2cc(S(=O)(=O)C3CNC3)ccc2n1CC1CC1
InChIInChI=1S/C19H27N3O2S/c1-19(2,3)9-18-21-16-8-14(25(23,24)15-10-20-11-15)6-7-17(16)22(18)12-13-4-5-13/h6-8,13,15,20H,4-5,9-12H2,1-3H3
InChIKeyCJYHCWLUWFMNQZ-UHFFFAOYSA-N
XLogP2.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-(1-(2-(dimethylamino)ethyl)-2-neopentyl-1H-benzo[d]imidazol-5-ylsulfonyl)azetidin-1-yl)ethanol
CID 46852212
1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole
CID 594620
Albendazole-2-aminosulfone
CID 88125
2-{[1-(Cyclopropylmethyl)-2-(2,2-dimethylpropyl)-1H-benzimidazol-5-yl]sulfonyl}-2-methylpropanamide
CID 24750597
2-Tert-butyl-1-(oxan-4-ylmethyl)-5-(4,4,4-trifluorobutylsulfonyl)benzimidazole
CID 44449322
5-Tert-butylsulfonyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole
CID 56659407
1-{[1-(Cyclopropylmethyl)-2-(2,2-dimethylpropyl)-1h-benzimidazol-5-yl]sulfonyl}cyclopropanecarboxamide
CID 57708174
4-[[2-Tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonylmethyl]benzonitrile
CID 44449255
2-Tert-butyl-1-(cyclohexylmethyl)-5-ethylsulfonylbenzimidazole
CID 44449353
2-Tert-butyl-5-[(2-fluoro-4-pyridinyl)sulfonyl]-1-(2-methylbutyl)benzimidazole
CID 90654968
4-[[1-(Cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide
CID 118722154
5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole
CID 2302831

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole?
The IUPAC name of 5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole (CID 58513574) is 5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole.
What is the SMILES notation for 5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole?
The canonical SMILES for 5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole is CC(C)(C)Cc1nc2cc(S(=O)(=O)C3CNC3)ccc2n1CC1CC1.
What is the InChIKey of 5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole?
The InChIKey is CJYHCWLUWFMNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-19(2,3)9-18-21-16-8-14(25(23,24)15-10-20-11-15)6-7-17(16)22(18)12-13-4-5-13/h6-8,13,15,20H,4-5,9-12H2,1-3H3.
What are the key properties of 5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole?
5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole has a molecular weight of 361.51 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylsulfonyl)-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole is sourced from PubChem (CID 58513574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).