N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine

C25H25FN4 — CID 10250393

IUPACN-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine
SMILESCN(CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)Cc1ccccc1
InChIInChI=1S/C25H25FN4/c1-29(18-20-6-3-2-4-7-20)16-5-17-30-19-28-24(21-8-10-23(26)11-9-21)25(30)22-12-14-27-15-13-22/h2-4,6-15,19H,5,16-18H2,1H3
InChIKeyUGGLIKVGGHFAIU-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.27
Rot. Bonds8

About N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine

N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine (PubChem CID 10250393) has the molecular formula C25H25FN4 and a molecular weight of 400.50 g/mol. Its IUPAC name is N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine
PubChem CID10250393
Molecular FormulaC25H25FN4
Molecular Weight400.50 g/mol
Exact Mass400.21
IUPAC NameN-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine
SMILESCN(CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)Cc1ccccc1
InChIInChI=1S/C25H25FN4/c1-29(18-20-6-3-2-4-7-20)16-5-17-30-19-28-24(21-8-10-23(26)11-9-21)25(30)22-12-14-27-15-13-22/h2-4,6-15,19H,5,16-18H2,1H3
InChIKeyUGGLIKVGGHFAIU-UHFFFAOYSA-N
XLogP5.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine?
The IUPAC name of N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine (CID 10250393) is N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine is CN(CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine?
The InChIKey is UGGLIKVGGHFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4/c1-29(18-20-6-3-2-4-7-20)16-5-17-30-19-28-24(21-8-10-23(26)11-9-21)25(30)22-12-14-27-15-13-22/h2-4,6-15,19H,5,16-18H2,1H3.
What are the key properties of N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine?
N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine has a molecular weight of 400.50 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 10250393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).