1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine

C15H14ClN3OS — CID 67114111

IUPAC1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine
SMILESCOc1cccc(Cl)c1Cn1cc(-c2ccsc2)nc1N
InChIInChI=1S/C15H14ClN3OS/c1-20-14-4-2-3-12(16)11(14)7-19-8-13(18-15(19)17)10-5-6-21-9-10/h2-6,8-9H,7H2,1H3,(H2,17,18)
InChIKeyCMVXDJJEWFUWHO-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.90
Rot. Bonds4

About 1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine

1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine (PubChem CID 67114111) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine
PubChem CID67114111
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine
SMILESCOc1cccc(Cl)c1Cn1cc(-c2ccsc2)nc1N
InChIInChI=1S/C15H14ClN3OS/c1-20-14-4-2-3-12(16)11(14)7-19-8-13(18-15(19)17)10-5-6-21-9-10/h2-6,8-9H,7H2,1H3,(H2,17,18)
InChIKeyCMVXDJJEWFUWHO-UHFFFAOYSA-N
XLogP3.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine?
The IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine (CID 67114111) is 1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine.
What is the SMILES notation for 1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine?
The canonical SMILES for 1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine is COc1cccc(Cl)c1Cn1cc(-c2ccsc2)nc1N.
What is the InChIKey of 1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine?
The InChIKey is CMVXDJJEWFUWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-20-14-4-2-3-12(16)11(14)7-19-8-13(18-15(19)17)10-5-6-21-9-10/h2-6,8-9H,7H2,1H3,(H2,17,18).
What are the key properties of 1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine?
1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine has a molecular weight of 319.82 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine is sourced from PubChem (CID 67114111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).