(3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone

C19H22FN5O — CID 53184216

IUPAC(3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C3=CC4=NCC(C)N4C=N3)CC2)cc1F
InChIInChI=1S/C19H22FN5O/c1-13-3-4-15(9-16(13)20)19(26)24-7-5-23(6-8-24)17-10-18-21-11-14(2)25(18)12-22-17/h3-4,9-10,12,14H,5-8,11H2,1-2H3
InChIKeyUQSUNKRSLPTJTQ-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.88
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone

(3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 53184216) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID53184216
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name(3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C3=CC4=NCC(C)N4C=N3)CC2)cc1F
InChIInChI=1S/C19H22FN5O/c1-13-3-4-15(9-16(13)20)19(26)24-7-5-23(6-8-24)17-10-18-21-11-14(2)25(18)12-22-17/h3-4,9-10,12,14H,5-8,11H2,1-2H3
InChIKeyUQSUNKRSLPTJTQ-UHFFFAOYSA-N
XLogP1.88
TPSA51.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Diethyl-4-{(4-ethyl-piperazin-1-yl)-[(Z)-2-fluoro-phenylimino]-methyl}-benzamide
CID 10158504
N,N-Diethyl-4-{(4-ethyl-piperazin-1-yl)-[(Z)-3-fluoro-phenylimino]-methyl}-benzamide
CID 10201643
2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 56597967
US10202354, Example 82
CID 121472714
US10202354, Example 84
CID 121477879
[4-(3-Methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino][2-(trifluoromethyl)phenyl]methanone
CID 53184157
(3-Fluoro-4-methylphenyl)[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino]methanone
CID 53184162
1-{3-Methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}-4-[3-(trifluoromethyl)benzoyl]piperazine
CID 53184211
1-(4-{2-Ethyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}piperazin-1-YL)-2-(2-fluorophenyl)ethan-1-one
CID 53184299
1-{2-Ethyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}-4-(3-fluoro-4-methylbenzoyl)piperazine
CID 53184306
(2-fluorophenyl)(2-piperidino-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 53012051
US11390610, Example 28
CID 165414463

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 53184216) is (3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C3=CC4=NCC(C)N4C=N3)CC2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is UQSUNKRSLPTJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-13-3-4-15(9-16(13)20)19(26)24-7-5-23(6-8-24)17-10-18-21-11-14(2)25(18)12-22-17/h3-4,9-10,12,14H,5-8,11H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone?
(3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 355.42 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 53184216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).