4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine

C24H21FN6 — CID 22464163

IUPAC4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2=CN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H21FN6/c25-19-8-6-18(7-9-19)22-23(21-10-12-27-24(26)29-21)31(16-28-22)20-11-13-30(15-20)14-17-4-2-1-3-5-17/h1-10,12,15-16H,11,13-14H2,(H2,26,27,29)
InChIKeyFQNLXCJVURINDI-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.43
Rot. Bonds5

About 4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine

4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 22464163) has the molecular formula C24H21FN6 and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
PubChem CID22464163
Molecular FormulaC24H21FN6
Molecular Weight412.47 g/mol
Exact Mass412.18
IUPAC Name4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2=CN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H21FN6/c25-19-8-6-18(7-9-19)22-23(21-10-12-27-24(26)29-21)31(16-28-22)20-11-13-30(15-20)14-17-4-2-1-3-5-17/h1-10,12,15-16H,11,13-14H2,(H2,26,27,29)
InChIKeyFQNLXCJVURINDI-UHFFFAOYSA-N
XLogP4.43
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine
CID 174293805
4-[3-[(4,4-difluorocyclohexyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
CID 146914722
6-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]-4-sulfonylpyran-2,3,5-trisulfinic acid
CID 57132637
4-[2-(4-fluorophenyl)-3-pyridinyl]pyrimidin-2-amine
CID 10220968
4-[5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
CID 71132664
4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
CID 71137521
4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine
CID 67073877
benzyl N-[4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamate
CID 153461579
1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 166068433
4-[(5S)-5-[(3-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
CID 142175884
5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine
CID 67983118
4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
CID 141034663

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine (CID 22464163) is 4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine is Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2=CN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine?
The InChIKey is FQNLXCJVURINDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6/c25-19-8-6-18(7-9-19)22-23(21-10-12-27-24(26)29-21)31(16-28-22)20-11-13-30(15-20)14-17-4-2-1-3-5-17/h1-10,12,15-16H,11,13-14H2,(H2,26,27,29).
What are the key properties of 4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine?
4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 412.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 22464163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).