7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one

C92H102Cl2F2N18O6 — CID 160637433

IUPAC7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1c(C(C)C)[nH]c2nc3cc(C)ccc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3cc(Cl)ccc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3cc(F)ccc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3ccc(C)cc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3ccc(Cl)cc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3ccc(F)cc3n2c1=O
InChIInChI=1S/2C16H19N3O.2C15H16ClN3O.2C15H16FN3O/c1-5-11-14(9(2)3)18-16-17-12-8-10(4)6-7-13(12)19(16)15(11)20;1-5-11-14(9(2)3)18-16-17-12-7-6-10(4)8-13(12)19(16)15(11)20;1-4-10-13(8(2)3)18-15-17-11-7-9(16)5-6-12(11)19(15)14(10)20;1-4-10-13(8(2)3)18-15-17-11-6-5-9(16)7-12(11)19(15)14(10)20;1-4-10-13(8(2)3)18-15-17-11-7-9(16)5-6-12(11)19(15)14(10)20;1-4-10-13(8(2)3)18-15-17-11-6-5-9(16)7-12(11)19(15)14(10)20/h2*6-9H,5H2,1-4H3,(H,17,18);4*5-8H,4H2,1-3H3,(H,17,18)
InChIKeyRISLLWHONFNNGV-UHFFFAOYSA-N
MW1664.85 g/mol
LogP19.37
Rot. Bonds12

About 7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one

7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one (PubChem CID 160637433) has the molecular formula C92H102Cl2F2N18O6 and a molecular weight of 1664.85 g/mol. Its IUPAC name is 7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one
PubChem CID160637433
Molecular FormulaC92H102Cl2F2N18O6
Molecular Weight1664.85 g/mol
Exact Mass1662.76
IUPAC Name7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1c(C(C)C)[nH]c2nc3cc(C)ccc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3cc(Cl)ccc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3cc(F)ccc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3ccc(C)cc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3ccc(Cl)cc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3ccc(F)cc3n2c1=O
InChIInChI=1S/2C16H19N3O.2C15H16ClN3O.2C15H16FN3O/c1-5-11-14(9(2)3)18-16-17-12-8-10(4)6-7-13(12)19(16)15(11)20;1-5-11-14(9(2)3)18-16-17-12-7-6-10(4)8-13(12)19(16)15(11)20;1-4-10-13(8(2)3)18-15-17-11-7-9(16)5-6-12(11)19(15)14(10)20;1-4-10-13(8(2)3)18-15-17-11-6-5-9(16)7-12(11)19(15)14(10)20;1-4-10-13(8(2)3)18-15-17-11-7-9(16)5-6-12(11)19(15)14(10)20;1-4-10-13(8(2)3)18-15-17-11-6-5-9(16)7-12(11)19(15)14(10)20/h2*6-9H,5H2,1-4H3,(H,17,18);4*5-8H,4H2,1-3H3,(H,17,18)
InChIKeyRISLLWHONFNNGV-UHFFFAOYSA-N
XLogP19.37
TPSA300.96 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms120
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001664.85
LogP ≤ 519.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one (CID 160637433) is 7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one is CCc1c(C(C)C)[nH]c2nc3cc(C)ccc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3cc(Cl)ccc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3cc(F)ccc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3ccc(C)cc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3ccc(Cl)cc3n2c1=O.CCc1c(C(C)C)[nH]c2nc3ccc(F)cc3n2c1=O.
What is the InChIKey of 7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is RISLLWHONFNNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19N3O.2C15H16ClN3O.2C15H16FN3O/c1-5-11-14(9(2)3)18-16-17-12-8-10(4)6-7-13(12)19(16)15(11)20;1-5-11-14(9(2)3)18-16-17-12-7-6-10(4)8-13(12)19(16)15(11)20;1-4-10-13(8(2)3)18-15-17-11-7-9(16)5-6-12(11)19(15)14(10)20;1-4-10-13(8(2)3)18-15-17-11-6-5-9(16)7-12(11)19(15)14(10)20;1-4-10-13(8(2)3)18-15-17-11-7-9(16)5-6-12(11)19(15)14(10)20;1-4-10-13(8(2)3)18-15-17-11-6-5-9(16)7-12(11)19(15)14(10)20/h2*6-9H,5H2,1-4H3,(H,17,18);4*5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one?
7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 1664.85 g/mol, XLogP of 19.37, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;8-chloro-3-ethyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-fluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one;3-ethyl-8-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 160637433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).