3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol

C15H19N3O — CID 112633436

IUPAC3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccccc1-n1ccnc1
InChIInChI=1S/C15H19N3O/c1-15(2)13(9-14(15)19)17-11-5-3-4-6-12(11)18-8-7-16-10-18/h3-8,10,13-14,17,19H,9H2,1-2H3
InChIKeyBYWAHALIFPHGKY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.44
Rot. Bonds3

About 3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol

3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633436) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol
PubChem CID112633436
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccccc1-n1ccnc1
InChIInChI=1S/C15H19N3O/c1-15(2)13(9-14(15)19)17-11-5-3-4-6-12(11)18-8-7-16-10-18/h3-8,10,13-14,17,19H,9H2,1-2H3
InChIKeyBYWAHALIFPHGKY-UHFFFAOYSA-N
XLogP2.44
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol (CID 112633436) is 3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1ccccc1-n1ccnc1.
What is the InChIKey of 3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is BYWAHALIFPHGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2)13(9-14(15)19)17-11-5-3-4-6-12(11)18-8-7-16-10-18/h3-8,10,13-14,17,19H,9H2,1-2H3.
What are the key properties of 3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol?
3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).