2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol

C13H15N3O — CID 105486642

IUPAC2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol
SMILESNC1(c2ncc(-c3ccccc3O)[nH]2)CCC1
InChIInChI=1S/C13H15N3O/c14-13(6-3-7-13)12-15-8-10(16-12)9-4-1-2-5-11(9)17/h1-2,4-5,8,17H,3,6-7,14H2,(H,15,16)
InChIKeyPTAAFRWFXWWVSK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.12
Rot. Bonds2

About 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol

2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol (PubChem CID 105486642) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol
PubChem CID105486642
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol
SMILESNC1(c2ncc(-c3ccccc3O)[nH]2)CCC1
InChIInChI=1S/C13H15N3O/c14-13(6-3-7-13)12-15-8-10(16-12)9-4-1-2-5-11(9)17/h1-2,4-5,8,17H,3,6-7,14H2,(H,15,16)
InChIKeyPTAAFRWFXWWVSK-UHFFFAOYSA-N
XLogP2.12
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-naphthalen-1-yl-1H-imidazol-2-yl)cyclopentan-1-amine
CID 60854451
1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65459361
1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65459808
4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol
CID 105468537
1-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
CID 60853729
1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine
CID 96733863
[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine
CID 116882338
1-[5-(furan-2-yl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65456829
5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine
CID 136674912
1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclopentan-1-amine
CID 60854816
1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
CID 60836387
1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
CID 60917595

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol?
The IUPAC name of 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol (CID 105486642) is 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol?
The canonical SMILES for 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol is NC1(c2ncc(-c3ccccc3O)[nH]2)CCC1.
What is the InChIKey of 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol?
The InChIKey is PTAAFRWFXWWVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-13(6-3-7-13)12-15-8-10(16-12)9-4-1-2-5-11(9)17/h1-2,4-5,8,17H,3,6-7,14H2,(H,15,16).
What are the key properties of 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol?
2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 105486642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).