1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine

C12H13Cl2N3S — CID 114082979

IUPAC1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine
SMILESCC(N)(c1ncc(-c2cc(Cl)sc2Cl)[nH]1)C1CC1
InChIInChI=1S/C12H13Cl2N3S/c1-12(15,6-2-3-6)11-16-5-8(17-11)7-4-9(13)18-10(7)14/h4-6H,2-3,15H2,1H3,(H,16,17)
InChIKeyTZYVKKQEKNNUGD-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.03
Rot. Bonds3

About 1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine

1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine (PubChem CID 114082979) has the molecular formula C12H13Cl2N3S and a molecular weight of 302.23 g/mol. Its IUPAC name is 1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine
PubChem CID114082979
Molecular FormulaC12H13Cl2N3S
Molecular Weight302.23 g/mol
Exact Mass301.02
IUPAC Name1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine
SMILESCC(N)(c1ncc(-c2cc(Cl)sc2Cl)[nH]1)C1CC1
InChIInChI=1S/C12H13Cl2N3S/c1-12(15,6-2-3-6)11-16-5-8(17-11)7-4-9(13)18-10(7)14/h4-6H,2-3,15H2,1H3,(H,16,17)
InChIKeyTZYVKKQEKNNUGD-UHFFFAOYSA-N
XLogP4.03
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine (CID 114082979) is 1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine is CC(N)(c1ncc(-c2cc(Cl)sc2Cl)[nH]1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is TZYVKKQEKNNUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3S/c1-12(15,6-2-3-6)11-16-5-8(17-11)7-4-9(13)18-10(7)14/h4-6H,2-3,15H2,1H3,(H,16,17).
What are the key properties of 1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine?
1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 302.23 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[5-(2,5-dichlorothiophen-3-yl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 114082979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).