2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

C22H25N5O — CID 2768866

IUPAC2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(Cc3ccccc3)CC1)N2
InChIInChI=1S/C22H25N5O/c28-22-24-20-9-5-4-8-19(20)21-23-18(16-27(21)22)15-26-12-10-25(11-13-26)14-17-6-2-1-3-7-17/h1-9,18,23H,10-16H2
InChIKeyYKTYHUNFVONKDM-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.01
Rot. Bonds4

About 2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 2768866) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID2768866
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(Cc3ccccc3)CC1)N2
InChIInChI=1S/C22H25N5O/c28-22-24-20-9-5-4-8-19(20)21-23-18(16-27(21)22)15-26-12-10-25(11-13-26)14-17-6-2-1-3-7-17/h1-9,18,23H,10-16H2
InChIKeyYKTYHUNFVONKDM-UHFFFAOYSA-N
XLogP2.01
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 2768866) is 2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is O=c1nc2ccccc2c2n1CC(CN1CCN(Cc3ccccc3)CC1)N2.
What is the InChIKey of 2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is YKTYHUNFVONKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-22-24-20-9-5-4-8-19(20)21-23-18(16-27(21)22)15-26-12-10-25(11-13-26)14-17-6-2-1-3-7-17/h1-9,18,23H,10-16H2.
What are the key properties of 2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 375.48 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 2768866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).