N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C21H17FN4O2 — CID 146264054

IUPACN-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccc2F)c1)c1cn2cccnc2n1
InChIInChI=1S/C21H17FN4O2/c22-18-8-2-1-6-16(18)14-28-17-7-3-5-15(11-17)12-24-20(27)19-13-26-10-4-9-23-21(26)25-19/h1-11,13H,12,14H2,(H,24,27)
InChIKeyIVDIIZPDICJTJK-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.38
Rot. Bonds6

About N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 146264054) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID146264054
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccc2F)c1)c1cn2cccnc2n1
InChIInChI=1S/C21H17FN4O2/c22-18-8-2-1-6-16(18)14-28-17-7-3-5-15(11-17)12-24-20(27)19-13-26-10-4-9-23-21(26)25-19/h1-11,13H,12,14H2,(H,24,27)
InChIKeyIVDIIZPDICJTJK-UHFFFAOYSA-N
XLogP3.38
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide;N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide;N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 167574213
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 146264047
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066422
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066403
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2983913
4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid
CID 4720686
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-[(2R)-1-methoxypropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 146264140
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 47057745
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46065628
N-[2-(4-fluorophenyl)-2-hydroxyethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 110899057
N-[(3-ethoxyphenyl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051316

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 146264054) is N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1cccc(OCc2ccccc2F)c1)c1cn2cccnc2n1.
What is the InChIKey of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is IVDIIZPDICJTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-18-8-2-1-6-16(18)14-28-17-7-3-5-15(11-17)12-24-20(27)19-13-26-10-4-9-23-21(26)25-19/h1-11,13H,12,14H2,(H,24,27).
What are the key properties of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 146264054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).