4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one

C20H16ClN5O2S — CID 159723367

IUPAC4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2ccc(-n3cnc(CCC(=O)c4ccc(Cl)s4)c3)cc2)c(=O)n1
InChIInChI=1S/C20H16ClN5O2S/c21-18-8-7-17(29-18)16(27)6-1-13-11-25(12-23-13)14-2-4-15(5-3-14)26-10-9-19(22)24-20(26)28/h2-5,7-12H,1,6H2,(H2,22,24,28)
InChIKeyNAICKFDCLKTNGX-UHFFFAOYSA-N
MW425.90 g/mol
LogP3.53
Rot. Bonds6

About 4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one

4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one (PubChem CID 159723367) has the molecular formula C20H16ClN5O2S and a molecular weight of 425.90 g/mol. Its IUPAC name is 4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one
PubChem CID159723367
Molecular FormulaC20H16ClN5O2S
Molecular Weight425.90 g/mol
Exact Mass425.07
IUPAC Name4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2ccc(-n3cnc(CCC(=O)c4ccc(Cl)s4)c3)cc2)c(=O)n1
InChIInChI=1S/C20H16ClN5O2S/c21-18-8-7-17(29-18)16(27)6-1-13-11-25(12-23-13)14-2-4-15(5-3-14)26-10-9-19(22)24-20(26)28/h2-5,7-12H,1,6H2,(H2,22,24,28)
InChIKeyNAICKFDCLKTNGX-UHFFFAOYSA-N
XLogP3.53
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one
CID 161344645
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide;methane
CID 159457229
1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]phenyl]-3-fluoropyridin-2-one
CID 153255917
1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-imidazol-1-ylphenyl]pyridin-2-one
CID 58326862
4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one
CID 158804843
2-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenoxy]ethanesulfonamide
CID 58326868
1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one
CID 58326784
3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
CID 82479273
5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 24986898
1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-[4-(dimethylamino)butanoyl]phenyl]pyridin-2-one
CID 58326772
1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one
CID 159211543
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one (CID 159723367) is 4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one is Nc1ccn(-c2ccc(-n3cnc(CCC(=O)c4ccc(Cl)s4)c3)cc2)c(=O)n1.
What is the InChIKey of 4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one?
The InChIKey is NAICKFDCLKTNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2S/c21-18-8-7-17(29-18)16(27)6-1-13-11-25(12-23-13)14-2-4-15(5-3-14)26-10-9-19(22)24-20(26)28/h2-5,7-12H,1,6H2,(H2,22,24,28).
What are the key properties of 4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one?
4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one has a molecular weight of 425.90 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one is sourced from PubChem (CID 159723367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).