5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine

C16H19N3OS — CID 79501012

IUPAC5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(C2CN=C(N)N2Cc2cccs2)cc1C
InChIInChI=1S/C16H19N3OS/c1-11-8-12(5-6-15(11)20-2)14-9-18-16(17)19(14)10-13-4-3-7-21-13/h3-8,14H,9-10H2,1-2H3,(H2,17,18)
InChIKeyVOALMYYRPGNIRZ-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.94
Rot. Bonds4

About 5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine

5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79501012) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79501012
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(C2CN=C(N)N2Cc2cccs2)cc1C
InChIInChI=1S/C16H19N3OS/c1-11-8-12(5-6-15(11)20-2)14-9-18-16(17)19(14)10-13-4-3-7-21-13/h3-8,14H,9-10H2,1-2H3,(H2,17,18)
InChIKeyVOALMYYRPGNIRZ-UHFFFAOYSA-N
XLogP2.94
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79497862
5-(5-methylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79520613
5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 113451548
5-(4-methoxy-3-methylphenyl)-1-phenyl-4,5-dihydroimidazol-2-amine
CID 79500733
5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79520692
5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 102845822
5-(2-chlorophenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79521478
5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 107126061
5-(3-bromo-4-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
CID 105404184
4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
CID 61059321
2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3820114
1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
CID 79506524

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine (CID 79501012) is 5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine is COc1ccc(C2CN=C(N)N2Cc2cccs2)cc1C.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is VOALMYYRPGNIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-8-12(5-6-15(11)20-2)14-9-18-16(17)19(14)10-13-4-3-7-21-13/h3-8,14H,9-10H2,1-2H3,(H2,17,18).
What are the key properties of 5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 301.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79501012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).