5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one

C13H17N3O2 — CID 112633246

IUPAC5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCC1(C)C(O)CC1Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O2/c1-13(2)10(6-11(13)17)14-7-3-4-8-9(5-7)16-12(18)15-8/h3-5,10-11,14,17H,6H2,1-2H3,(H2,15,16,18)
InChIKeyHCJMQJCALCMQAV-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.43
Rot. Bonds2

About 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one

5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 112633246) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID112633246
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCC1(C)C(O)CC1Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O2/c1-13(2)10(6-11(13)17)14-7-3-4-8-9(5-7)16-12(18)15-8/h3-5,10-11,14,17H,6H2,1-2H3,(H2,15,16,18)
InChIKeyHCJMQJCALCMQAV-UHFFFAOYSA-N
XLogP1.43
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione
CID 115972133
6-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one
CID 112633272
3-(3-iodo-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633569
3-(3-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628749
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098
2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide
CID 112633806
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112633175
3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633168
3-(3,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633224
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one
CID 114630237
5-[(4-aminocyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 79725031

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one (CID 112633246) is 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one is CC1(C)C(O)CC1Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HCJMQJCALCMQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2)10(6-11(13)17)14-7-3-4-8-9(5-7)16-12(18)15-8/h3-5,10-11,14,17H,6H2,1-2H3,(H2,15,16,18).
What are the key properties of 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one?
5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 112633246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).