2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide

C25H25FN6O2 — CID 121472223

IUPAC2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide
SMILESC[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)Cc3ccccc3F)c2)n1
InChIInChI=1S/C25H25FN6O2/c1-17(33)16-29-25-28-10-9-22(31-25)32-12-11-27-23(32)14-18-5-4-7-20(13-18)30-24(34)15-19-6-2-3-8-21(19)26/h2-13,17,33H,14-16H2,1H3,(H,30,34)(H,28,29,31)/t17-/m0/s1
InChIKeyFOCARPOEMBZPCO-KRWDZBQOSA-N
MW460.51 g/mol
LogP3.37
Rot. Bonds9

About 2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide

2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide (PubChem CID 121472223) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide
PubChem CID121472223
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Name2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide
SMILESC[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)Cc3ccccc3F)c2)n1
InChIInChI=1S/C25H25FN6O2/c1-17(33)16-29-25-28-10-9-22(31-25)32-12-11-27-23(32)14-18-5-4-7-20(13-18)30-24(34)15-19-6-2-3-8-21(19)26/h2-13,17,33H,14-16H2,1H3,(H,30,34)(H,28,29,31)/t17-/m0/s1
InChIKeyFOCARPOEMBZPCO-KRWDZBQOSA-N
XLogP3.37
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]quinoline-2-carboxamide
CID 118705794
1-[3-chloro-4-(trifluoromethyl)phenyl]-3-[3-[[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]urea
CID 121472277
1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[3-[[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]urea
CID 121472250
4-chloro-N-[3-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazole-2-carbonyl]phenyl]benzamide
CID 118705931
N-[4-[1-[2-(2-hydroxypropylamino)pyrimidin-4-yl]imidazol-2-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 67110476
(2S)-1-[[4-[2-(3-aminophenyl)imidazol-1-yl]pyrimidin-2-yl]amino]propan-2-ol;(2S)-1-[[4-[2-(3-nitrophenyl)imidazol-1-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 67109643
2-(2-fluorophenyl)-N-imidazo[1,2-a]pyridin-6-ylacetamide
CID 110734742
5-[3-chloro-5-(trifluoromethyl)phenyl]-N-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]furan-2-carboxamide
CID 52913724
N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide
CID 31663783
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022490
2-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 35364792

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide (CID 121472223) is 2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide is C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)Cc3ccccc3F)c2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide?
The InChIKey is FOCARPOEMBZPCO-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-17(33)16-29-25-28-10-9-22(31-25)32-12-11-27-23(32)14-18-5-4-7-20(13-18)30-24(34)15-19-6-2-3-8-21(19)26/h2-13,17,33H,14-16H2,1H3,(H,30,34)(H,28,29,31)/t17-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide?
2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide has a molecular weight of 460.51 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 121472223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).