5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol

C15H17N3O2S — CID 107707886

IUPAC5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol
SMILESCC1(c2cc(O)cc(O)c2)CN=C(N)N1Cc1cccs1
InChIInChI=1S/C15H17N3O2S/c1-15(10-5-11(19)7-12(20)6-10)9-17-14(16)18(15)8-13-3-2-4-21-13/h2-7,19-20H,8-9H2,1H3,(H2,16,17)
InChIKeyDDOWWVMBKIAMGU-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.20
Rot. Bonds3

About 5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol

5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol (PubChem CID 107707886) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol
PubChem CID107707886
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol
SMILESCC1(c2cc(O)cc(O)c2)CN=C(N)N1Cc1cccs1
InChIInChI=1S/C15H17N3O2S/c1-15(10-5-11(19)7-12(20)6-10)9-17-14(16)18(15)8-13-3-2-4-21-13/h2-7,19-20H,8-9H2,1H3,(H2,16,17)
InChIKeyDDOWWVMBKIAMGU-UHFFFAOYSA-N
XLogP2.20
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79521313
5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79521396
5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79500819
5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 79521836
3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol
CID 79505004
4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol
CID 79510490
7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79520782
5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 114835173
4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol
CID 79496558
7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874991
9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79501015
1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine
CID 79509614

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol?
The IUPAC name of 5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol (CID 107707886) is 5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol is CC1(c2cc(O)cc(O)c2)CN=C(N)N1Cc1cccs1.
What is the InChIKey of 5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol?
The InChIKey is DDOWWVMBKIAMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-15(10-5-11(19)7-12(20)6-10)9-17-14(16)18(15)8-13-3-2-4-21-13/h2-7,19-20H,8-9H2,1H3,(H2,16,17).
What are the key properties of 5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol?
5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol has a molecular weight of 303.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 107707886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).