N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine

C21H25FN4 — CID 10043599

IUPACN,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
SMILESCCN(CC)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H25FN4/c1-3-25(4-2)14-5-15-26-16-24-20(17-6-8-19(22)9-7-17)21(26)18-10-12-23-13-11-18/h6-13,16H,3-5,14-15H2,1-2H3
InChIKeyPHDKOVQUPZVSDQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.48
Rot. Bonds8

About N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine

N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine (PubChem CID 10043599) has the molecular formula C21H25FN4 and a molecular weight of 352.46 g/mol. Its IUPAC name is N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
PubChem CID10043599
Molecular FormulaC21H25FN4
Molecular Weight352.46 g/mol
Exact Mass352.21
IUPAC NameN,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
SMILESCCN(CC)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H25FN4/c1-3-25(4-2)14-5-15-26-16-24-20(17-6-8-19(22)9-7-17)21(26)18-10-12-23-13-11-18/h6-13,16H,3-5,14-15H2,1-2H3
InChIKeyPHDKOVQUPZVSDQ-UHFFFAOYSA-N
XLogP4.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine (CID 10043599) is N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine is CCN(CC)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine?
The InChIKey is PHDKOVQUPZVSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4/c1-3-25(4-2)14-5-15-26-16-24-20(17-6-8-19(22)9-7-17)21(26)18-10-12-23-13-11-18/h6-13,16H,3-5,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine?
N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine has a molecular weight of 352.46 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 10043599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).