4-(3-imidazol-1-ylanilino)cyclohexan-1-ol

C15H19N3O — CID 106593713

IUPAC4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
SMILESOC1CCC(Nc2cccc(-n3ccnc3)c2)CC1
InChIInChI=1S/C15H19N3O/c19-15-6-4-12(5-7-15)17-13-2-1-3-14(10-13)18-9-8-16-11-18/h1-3,8-12,15,17,19H,4-7H2
InChIKeyAOINTKYTJPCXIR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.59
Rot. Bonds3

About 4-(3-imidazol-1-ylanilino)cyclohexan-1-ol

4-(3-imidazol-1-ylanilino)cyclohexan-1-ol (PubChem CID 106593713) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
PubChem CID106593713
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
SMILESOC1CCC(Nc2cccc(-n3ccnc3)c2)CC1
InChIInChI=1S/C15H19N3O/c19-15-6-4-12(5-7-15)17-13-2-1-3-14(10-13)18-9-8-16-11-18/h1-3,8-12,15,17,19H,4-7H2
InChIKeyAOINTKYTJPCXIR-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63428404
N-(4-ethylcyclohexyl)-3-imidazol-1-ylaniline
CID 43678323
3-imidazol-1-yl-N-(4-propylcyclohexyl)aniline
CID 43678288
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
N-(3-imidazol-1-ylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864855
N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
CID 43678392
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
2-amino-2-cyclopropyl-N-(3-imidazol-1-ylphenyl)propanamide
CID 60868425
2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 64825093
N-(3,4-dimethylcyclohexyl)-3-(1,2,4-triazol-4-yl)aniline
CID 64732793
1-[3-(sulfamoylamino)phenyl]imidazole
CID 112573328
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylanilino)cyclohexan-1-ol?
The IUPAC name of 4-(3-imidazol-1-ylanilino)cyclohexan-1-ol (CID 106593713) is 4-(3-imidazol-1-ylanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-imidazol-1-ylanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(3-imidazol-1-ylanilino)cyclohexan-1-ol is OC1CCC(Nc2cccc(-n3ccnc3)c2)CC1.
What is the InChIKey of 4-(3-imidazol-1-ylanilino)cyclohexan-1-ol?
The InChIKey is AOINTKYTJPCXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15-6-4-12(5-7-15)17-13-2-1-3-14(10-13)18-9-8-16-11-18/h1-3,8-12,15,17,19H,4-7H2.
What are the key properties of 4-(3-imidazol-1-ylanilino)cyclohexan-1-ol?
4-(3-imidazol-1-ylanilino)cyclohexan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylanilino)cyclohexan-1-ol is sourced from PubChem (CID 106593713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).