4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

C29H22FN5O — CID 20594023

IUPAC4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1nccc(-n2cc(-c3cc4ccccc4o3)nc2-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C29H22FN5O/c1-19(20-7-3-2-4-8-20)32-29-31-16-15-27(34-29)35-18-24(26-17-22-9-5-6-10-25(22)36-26)33-28(35)21-11-13-23(30)14-12-21/h2-19H,1H3,(H,31,32,34)/t19-/m0/s1
InChIKeyDWVCIXHAUWGUCG-IBGZPJMESA-N
MW475.53 g/mol
LogP7.05
Rot. Bonds6

About 4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (PubChem CID 20594023) has the molecular formula C29H22FN5O and a molecular weight of 475.53 g/mol. Its IUPAC name is 4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
PubChem CID20594023
Molecular FormulaC29H22FN5O
Molecular Weight475.53 g/mol
Exact Mass475.18
IUPAC Name4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1nccc(-n2cc(-c3cc4ccccc4o3)nc2-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C29H22FN5O/c1-19(20-7-3-2-4-8-20)32-29-31-16-15-27(34-29)35-18-24(26-17-22-9-5-6-10-25(22)36-26)33-28(35)21-11-13-23(30)14-12-21/h2-19H,1H3,(H,31,32,34)/t19-/m0/s1
InChIKeyDWVCIXHAUWGUCG-IBGZPJMESA-N
XLogP7.05
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.53
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (CID 20594023) is 4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is C[C@H](Nc1nccc(-n2cc(-c3cc4ccccc4o3)nc2-c2ccc(F)cc2)n1)c1ccccc1.
What is the InChIKey of 4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The InChIKey is DWVCIXHAUWGUCG-IBGZPJMESA-N. The full InChI is InChI=1S/C29H22FN5O/c1-19(20-7-3-2-4-8-20)32-29-31-16-15-27(34-29)35-18-24(26-17-22-9-5-6-10-25(22)36-26)33-28(35)21-11-13-23(30)14-12-21/h2-19H,1H3,(H,31,32,34)/t19-/m0/s1.
What are the key properties of 4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine has a molecular weight of 475.53 g/mol, XLogP of 7.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzofuran-2-yl)-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is sourced from PubChem (CID 20594023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).