N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine

C19H22N4S — CID 50952135

IUPACN-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine
SMILESCSCCc1c(-c2ccccc2)ncn1CCNc1cccnc1
InChIInChI=1S/C19H22N4S/c1-24-13-9-18-19(16-6-3-2-4-7-16)22-15-23(18)12-11-21-17-8-5-10-20-14-17/h2-8,10,14-15,21H,9,11-13H2,1H3
InChIKeyUFOHOBWCYJMDFT-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.96
Rot. Bonds8

About N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine

N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine (PubChem CID 50952135) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine
PubChem CID50952135
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC NameN-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine
SMILESCSCCc1c(-c2ccccc2)ncn1CCNc1cccnc1
InChIInChI=1S/C19H22N4S/c1-24-13-9-18-19(16-6-3-2-4-7-16)22-15-23(18)12-11-21-17-8-5-10-20-14-17/h2-8,10,14-15,21H,9,11-13H2,1H3
InChIKeyUFOHOBWCYJMDFT-UHFFFAOYSA-N
XLogP3.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine?
The IUPAC name of N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine (CID 50952135) is N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine.
What is the SMILES notation for N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine?
The canonical SMILES for N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine is CSCCc1c(-c2ccccc2)ncn1CCNc1cccnc1.
What is the InChIKey of N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine?
The InChIKey is UFOHOBWCYJMDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-24-13-9-18-19(16-6-3-2-4-7-16)22-15-23(18)12-11-21-17-8-5-10-20-14-17/h2-8,10,14-15,21H,9,11-13H2,1H3.
What are the key properties of N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine?
N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine has a molecular weight of 338.48 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine is sourced from PubChem (CID 50952135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).