4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol

C16H17N3O2 — CID 79501434

IUPAC4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol
SMILESCOc1ccccc1N1C(N)=NCC1c1ccc(O)cc1
InChIInChI=1S/C16H17N3O2/c1-21-15-5-3-2-4-13(15)19-14(10-18-16(19)17)11-6-8-12(20)9-7-11/h2-9,14,20H,10H2,1H3,(H2,17,18)
InChIKeyBIGXSEHFBGKEAP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.28
Rot. Bonds3

About 4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol

4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol (PubChem CID 79501434) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol
PubChem CID79501434
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol
SMILESCOc1ccccc1N1C(N)=NCC1c1ccc(O)cc1
InChIInChI=1S/C16H17N3O2/c1-21-15-5-3-2-4-13(15)19-14(10-18-16(19)17)11-6-8-12(20)9-7-11/h2-9,14,20H,10H2,1H3,(H2,17,18)
InChIKeyBIGXSEHFBGKEAP-UHFFFAOYSA-N
XLogP2.28
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Benzyl-2-(2-methoxy-phenylamino)-3,5-dihydro-imidazol-4-one
CID 648663
6-(4-Methoxyphenyl)-1-(4-methylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 2851143
CID 2851142
CID 2851142
2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine, chl oride
CID 9551913
4-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]phenol
CID 1377149
1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine
CID 4159063
2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine
CID 4233540
1-(2,5-Dimethoxyphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 53625542
3-(4-Fluorophenyl)-3-hydroxy-1-(2-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
CID 4150624
3-(4-fluorophenyl)-3-hydroxy-1-(2-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
CID 4245799
2-Fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
CID 18403742
(S)-4-{[(3-fluoro-phenyl)-(4-methoxy-benzyl)-amino]-methyl}-4,5-dihydro-oxazol-2-ylamine
CID 57667104

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol?
The IUPAC name of 4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol (CID 79501434) is 4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol.
What is the SMILES notation for 4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol?
The canonical SMILES for 4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol is COc1ccccc1N1C(N)=NCC1c1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol?
The InChIKey is BIGXSEHFBGKEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-15-5-3-2-4-13(15)19-14(10-18-16(19)17)11-6-8-12(20)9-7-11/h2-9,14,20H,10H2,1H3,(H2,17,18).
What are the key properties of 4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol?
4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol has a molecular weight of 283.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol is sourced from PubChem (CID 79501434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).