2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol

C10H11N3O2 — CID 82470079

IUPAC2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol
SMILESNc1ccc(OCc2ncc(O)[nH]2)cc1
InChIInChI=1S/C10H11N3O2/c11-7-1-3-8(4-2-7)15-6-9-12-5-10(14)13-9/h1-5,14H,6,11H2,(H,12,13)
InChIKeyVWUHMGJCQVJPNB-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.28
Rot. Bonds3

About 2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol

2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol (PubChem CID 82470079) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol.

Molecular Properties

Compound Name2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol
PubChem CID82470079
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol
SMILESNc1ccc(OCc2ncc(O)[nH]2)cc1
InChIInChI=1S/C10H11N3O2/c11-7-1-3-8(4-2-7)15-6-9-12-5-10(14)13-9/h1-5,14H,6,11H2,(H,12,13)
InChIKeyVWUHMGJCQVJPNB-UHFFFAOYSA-N
XLogP1.28
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol
CID 117187368
4-[5-[(4-aminophenoxy)methyl]-1H-1,2,4-triazol-3-yl]aniline
CID 53264640
4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline
CID 82471920
[2-[(4-chlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292085
5-hydroxy-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 71185914
4-[(5-aminopyrimidin-2-yl)methoxy]phenol
CID 105470751
4-[(4-aminophenoxy)methyl]phenol;ethane
CID 176977170
4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
CID 65017728
[2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292430
4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline
CID 79826712
2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821122
4-[(6-chloro-3-pyridinyl)methoxy]aniline
CID 20537895

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol?
The IUPAC name of 2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol (CID 82470079) is 2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol.
What is the SMILES notation for 2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol?
The canonical SMILES for 2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol is Nc1ccc(OCc2ncc(O)[nH]2)cc1.
What is the InChIKey of 2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol?
The InChIKey is VWUHMGJCQVJPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-7-1-3-8(4-2-7)15-6-9-12-5-10(14)13-9/h1-5,14H,6,11H2,(H,12,13).
What are the key properties of 2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol?
2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol has a molecular weight of 205.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol is sourced from PubChem (CID 82470079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).