2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one

C21H20ClN5O — CID 135529922

IUPAC2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(CN3CCN(c4ccccc4Cl)CC3)cn12
InChIInChI=1S/C21H20ClN5O/c22-17-6-2-4-8-19(17)26-11-9-25(10-12-26)13-15-14-27-20(23-15)16-5-1-3-7-18(16)24-21(27)28/h1-8,14H,9-13H2,(H,24,28)
InChIKeyKCVHAIFLJARPKW-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.15
Rot. Bonds3

About 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one

2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 135529922) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one
PubChem CID135529922
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(CN3CCN(c4ccccc4Cl)CC3)cn12
InChIInChI=1S/C21H20ClN5O/c22-17-6-2-4-8-19(17)26-11-9-25(10-12-26)13-15-14-27-20(23-15)16-5-1-3-7-18(16)24-21(27)28/h1-8,14H,9-13H2,(H,24,28)
InChIKeyKCVHAIFLJARPKW-UHFFFAOYSA-N
XLogP3.15
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one (CID 135529922) is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one is O=c1[nH]c2ccccc2c2nc(CN3CCN(c4ccccc4Cl)CC3)cn12.
What is the InChIKey of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is KCVHAIFLJARPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c22-17-6-2-4-8-19(17)26-11-9-25(10-12-26)13-15-14-27-20(23-15)16-5-1-3-7-18(16)24-21(27)28/h1-8,14H,9-13H2,(H,24,28).
What are the key properties of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one?
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 393.88 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 135529922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).