5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine

C16H18FN3S — CID 114835173

IUPAC5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(Cc2cccc(F)c2)CN=C(N)N1Cc1cccs1
InChIInChI=1S/C16H18FN3S/c1-16(9-12-4-2-5-13(17)8-12)11-19-15(18)20(16)10-14-6-3-7-21-14/h2-8H,9-11H2,1H3,(H2,18,19)
InChIKeyAWZWAEMNHHWVGQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.02
Rot. Bonds4

About 5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine

5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine (PubChem CID 114835173) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
PubChem CID114835173
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC Name5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(Cc2cccc(F)c2)CN=C(N)N1Cc1cccs1
InChIInChI=1S/C16H18FN3S/c1-16(9-12-4-2-5-13(17)8-12)11-19-15(18)20(16)10-14-6-3-7-21-14/h2-8H,9-11H2,1H3,(H2,18,19)
InChIKeyAWZWAEMNHHWVGQ-UHFFFAOYSA-N
XLogP3.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine (CID 114835173) is 5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine is CC1(Cc2cccc(F)c2)CN=C(N)N1Cc1cccs1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
The InChIKey is AWZWAEMNHHWVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-16(9-12-4-2-5-13(17)8-12)11-19-15(18)20(16)10-14-6-3-7-21-14/h2-8H,9-11H2,1H3,(H2,18,19).
What are the key properties of 5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine has a molecular weight of 303.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 114835173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).