4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine

C15H13ClN4S — CID 146128776

IUPAC4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine
SMILESNc1cc(CSc2nccn2-c2cccc(Cl)c2)ccn1
InChIInChI=1S/C15H13ClN4S/c16-12-2-1-3-13(9-12)20-7-6-19-15(20)21-10-11-4-5-18-14(17)8-11/h1-9H,10H2,(H2,17,18)
InChIKeyWSSIHZFSCYSLGR-UHFFFAOYSA-N
MW316.82 g/mol
LogP3.80
Rot. Bonds4

About 4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine

4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine (PubChem CID 146128776) has the molecular formula C15H13ClN4S and a molecular weight of 316.82 g/mol. Its IUPAC name is 4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine
PubChem CID146128776
Molecular FormulaC15H13ClN4S
Molecular Weight316.82 g/mol
Exact Mass316.05
IUPAC Name4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine
SMILESNc1cc(CSc2nccn2-c2cccc(Cl)c2)ccn1
InChIInChI=1S/C15H13ClN4S/c16-12-2-1-3-13(9-12)20-7-6-19-15(20)21-10-11-4-5-18-14(17)8-11/h1-9H,10H2,(H2,17,18)
InChIKeyWSSIHZFSCYSLGR-UHFFFAOYSA-N
XLogP3.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine (CID 146128776) is 4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine is Nc1cc(CSc2nccn2-c2cccc(Cl)c2)ccn1.
What is the InChIKey of 4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine?
The InChIKey is WSSIHZFSCYSLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4S/c16-12-2-1-3-13(9-12)20-7-6-19-15(20)21-10-11-4-5-18-14(17)8-11/h1-9H,10H2,(H2,17,18).
What are the key properties of 4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine?
4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine has a molecular weight of 316.82 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 146128776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).