3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide

C24H21FN6O — CID 24893986

IUPAC3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide
SMILESNC(=O)c1cccc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc(NC3CC3)n2)c1
InChIInChI=1S/C24H21FN6O/c25-18-6-4-16(5-7-18)21-22(20-10-11-27-24(30-20)29-19-8-9-19)31(14-28-21)13-15-2-1-3-17(12-15)23(26)32/h1-7,10-12,14,19H,8-9,13H2,(H2,26,32)(H,27,29,30)
InChIKeyQTYPWOVQOOTRAG-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.87
Rot. Bonds7

About 3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide

3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide (PubChem CID 24893986) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide
PubChem CID24893986
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide
SMILESNC(=O)c1cccc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc(NC3CC3)n2)c1
InChIInChI=1S/C24H21FN6O/c25-18-6-4-16(5-7-18)21-22(20-10-11-27-24(30-20)29-19-8-9-19)31(14-28-21)13-15-2-1-3-17(12-15)23(26)32/h1-7,10-12,14,19H,8-9,13H2,(H2,26,32)(H,27,29,30)
InChIKeyQTYPWOVQOOTRAG-UHFFFAOYSA-N
XLogP3.87
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide?
The IUPAC name of 3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide (CID 24893986) is 3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide is NC(=O)c1cccc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc(NC3CC3)n2)c1.
What is the InChIKey of 3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide?
The InChIKey is QTYPWOVQOOTRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c25-18-6-4-16(5-7-18)21-22(20-10-11-27-24(30-20)29-19-8-9-19)31(14-28-21)13-15-2-1-3-17(12-15)23(26)32/h1-7,10-12,14,19H,8-9,13H2,(H2,26,32)(H,27,29,30).
What are the key properties of 3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide?
3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide has a molecular weight of 428.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 24893986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).