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

C21H23N5O — CID 135484655

IUPAC(2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1C[C@H](CN1CCN(c3ccccc3)CC1)N2
InChIInChI=1S/C21H23N5O/c27-21-23-19-9-5-4-8-18(19)20-22-16(15-26(20)21)14-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,16,22H,10-15H2/t16-/m0/s1
InChIKeyALPFEYWIGFAARN-INIZCTEOSA-N
MW361.45 g/mol
LogP2.01
Rot. Bonds3

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

(2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 135484655) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name(2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID135484655
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1C[C@H](CN1CCN(c3ccccc3)CC1)N2
InChIInChI=1S/C21H23N5O/c27-21-23-19-9-5-4-8-18(19)20-22-16(15-26(20)21)14-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,16,22H,10-15H2/t16-/m0/s1
InChIKeyALPFEYWIGFAARN-INIZCTEOSA-N
XLogP2.01
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of (2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 135484655) is (2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for (2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for (2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is O=c1nc2ccccc2c2n1C[C@H](CN1CCN(c3ccccc3)CC1)N2.
What is the InChIKey of (2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is ALPFEYWIGFAARN-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21-23-19-9-5-4-8-18(19)20-22-16(15-26(20)21)14-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,16,22H,10-15H2/t16-/m0/s1.
What are the key properties of (2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
(2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 361.45 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 135484655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).