3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide

C18H19ClN4O2 — CID 178109006

IUPAC3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide
SMILESCCc1c(Cl)ccnc1N1C[C@H](C)N(c2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C18H19ClN4O2/c1-3-14-15(19)7-8-21-17(14)22-10-11(2)23(18(22)25)13-6-4-5-12(9-13)16(20)24/h4-9,11H,3,10H2,1-2H3,(H2,20,24)/t11-/m0/s1
InChIKeyCFFWPOUMNGNTHI-NSHDSACASA-N
MW358.83 g/mol
LogP3.23
Rot. Bonds4

About 3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide

3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide (PubChem CID 178109006) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide
PubChem CID178109006
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide
SMILESCCc1c(Cl)ccnc1N1C[C@H](C)N(c2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C18H19ClN4O2/c1-3-14-15(19)7-8-21-17(14)22-10-11(2)23(18(22)25)13-6-4-5-12(9-13)16(20)24/h4-9,11H,3,10H2,1-2H3,(H2,20,24)/t11-/m0/s1
InChIKeyCFFWPOUMNGNTHI-NSHDSACASA-N
XLogP3.23
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide?
The IUPAC name of 3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide (CID 178109006) is 3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide.
What is the SMILES notation for 3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide?
The canonical SMILES for 3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide is CCc1c(Cl)ccnc1N1C[C@H](C)N(c2cccc(C(N)=O)c2)C1=O.
What is the InChIKey of 3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide?
The InChIKey is CFFWPOUMNGNTHI-NSHDSACASA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-3-14-15(19)7-8-21-17(14)22-10-11(2)23(18(22)25)13-6-4-5-12(9-13)16(20)24/h4-9,11H,3,10H2,1-2H3,(H2,20,24)/t11-/m0/s1.
What are the key properties of 3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide?
3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide has a molecular weight of 358.83 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-3-(4-chloro-3-ethyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]benzamide is sourced from PubChem (CID 178109006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).