[3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine

C12H10ClN3S — CID 174508897

IUPAC[3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine
SMILESNCc1cccc(Cl)c1-c1nc2cscc2[nH]1
InChIInChI=1S/C12H10ClN3S/c13-8-3-1-2-7(4-14)11(8)12-15-9-5-17-6-10(9)16-12/h1-3,5-6H,4,14H2,(H,15,16)
InChIKeyFYKIYAXDHRRDMY-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.40
Rot. Bonds2

About [3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine

[3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine (PubChem CID 174508897) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is [3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine
PubChem CID174508897
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name[3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine
SMILESNCc1cccc(Cl)c1-c1nc2cscc2[nH]1
InChIInChI=1S/C12H10ClN3S/c13-8-3-1-2-7(4-14)11(8)12-15-9-5-17-6-10(9)16-12/h1-3,5-6H,4,14H2,(H,15,16)
InChIKeyFYKIYAXDHRRDMY-UHFFFAOYSA-N
XLogP3.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine?
The IUPAC name of [3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine (CID 174508897) is [3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine is NCc1cccc(Cl)c1-c1nc2cscc2[nH]1.
What is the InChIKey of [3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine?
The InChIKey is FYKIYAXDHRRDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c13-8-3-1-2-7(4-14)11(8)12-15-9-5-17-6-10(9)16-12/h1-3,5-6H,4,14H2,(H,15,16).
What are the key properties of [3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine?
[3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine has a molecular weight of 263.75 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(1H-thieno[3,4-d]imidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 174508897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).