N-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine

C21H26N4S — CID 50973622

IUPACN-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine
SMILESCSC(C)Cc1c(-c2ccccc2)ncn1CCCNc1cccnc1
InChIInChI=1S/C21H26N4S/c1-17(26-2)14-20-21(18-8-4-3-5-9-18)24-16-25(20)13-7-12-23-19-10-6-11-22-15-19/h3-6,8-11,15-17,23H,7,12-14H2,1-2H3
InChIKeyUKIDROHDVUBUHZ-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.74
Rot. Bonds9

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

N-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine (PubChem CID 50973622) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine
PubChem CID50973622
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC NameN-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine
SMILESCSC(C)Cc1c(-c2ccccc2)ncn1CCCNc1cccnc1
InChIInChI=1S/C21H26N4S/c1-17(26-2)14-20-21(18-8-4-3-5-9-18)24-16-25(20)13-7-12-23-19-10-6-11-22-15-19/h3-6,8-11,15-17,23H,7,12-14H2,1-2H3
InChIKeyUKIDROHDVUBUHZ-UHFFFAOYSA-N
XLogP4.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine?
The IUPAC name of N-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine (CID 50973622) is N-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine.
What is the SMILES notation for N-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine?
The canonical SMILES for N-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine is CSC(C)Cc1c(-c2ccccc2)ncn1CCCNc1cccnc1.
What is the InChIKey of N-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine?
The InChIKey is UKIDROHDVUBUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4S/c1-17(26-2)14-20-21(18-8-4-3-5-9-18)24-16-25(20)13-7-12-23-19-10-6-11-22-15-19/h3-6,8-11,15-17,23H,7,12-14H2,1-2H3.
What are the key properties of N-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine?
N-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine has a molecular weight of 366.53 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-methylsulfanylpropyl)-4-phenylimidazol-1-yl]propyl]pyridin-3-amine is sourced from PubChem (CID 50973622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).