10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one

C21H18Cl2N4O2 — CID 57403578

IUPAC10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1cc(N2CCOCC2)nc2n(Cc3cccc(Cl)c3Cl)c3ccccc3n12
InChIInChI=1S/C21H18Cl2N4O2/c22-15-5-3-4-14(20(15)23)13-26-16-6-1-2-7-17(16)27-19(28)12-18(24-21(26)27)25-8-10-29-11-9-25/h1-7,12H,8-11,13H2
InChIKeyMVKZSBQFBOMMRN-UHFFFAOYSA-N
MW429.31 g/mol
LogP3.84
Rot. Bonds3

About 10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one

10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one (PubChem CID 57403578) has the molecular formula C21H18Cl2N4O2 and a molecular weight of 429.31 g/mol. Its IUPAC name is 10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one
PubChem CID57403578
Molecular FormulaC21H18Cl2N4O2
Molecular Weight429.31 g/mol
Exact Mass428.08
IUPAC Name10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1cc(N2CCOCC2)nc2n(Cc3cccc(Cl)c3Cl)c3ccccc3n12
InChIInChI=1S/C21H18Cl2N4O2/c22-15-5-3-4-14(20(15)23)13-26-16-6-1-2-7-17(16)27-19(28)12-18(24-21(26)27)25-8-10-29-11-9-25/h1-7,12H,8-11,13H2
InChIKeyMVKZSBQFBOMMRN-UHFFFAOYSA-N
XLogP3.84
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one (CID 57403578) is 10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one is O=c1cc(N2CCOCC2)nc2n(Cc3cccc(Cl)c3Cl)c3ccccc3n12.
What is the InChIKey of 10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is MVKZSBQFBOMMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O2/c22-15-5-3-4-14(20(15)23)13-26-16-6-1-2-7-17(16)27-19(28)12-18(24-21(26)27)25-8-10-29-11-9-25/h1-7,12H,8-11,13H2.
What are the key properties of 10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one?
10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 429.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 57403578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).