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

C28H29N5O — CID 2768885

IUPAC2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(C(c3ccccc3)c3ccccc3)CC1)N2
InChIInChI=1S/C28H29N5O/c34-28-30-25-14-8-7-13-24(25)27-29-23(20-33(27)28)19-31-15-17-32(18-16-31)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26,29H,15-20H2
InChIKeyCCSHGSXBXSXKDZ-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.60
Rot. Bonds5

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

2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 2768885) has the molecular formula C28H29N5O and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID2768885
Molecular FormulaC28H29N5O
Molecular Weight451.57 g/mol
Exact Mass451.24
IUPAC Name2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(C(c3ccccc3)c3ccccc3)CC1)N2
InChIInChI=1S/C28H29N5O/c34-28-30-25-14-8-7-13-24(25)27-29-23(20-33(27)28)19-31-15-17-32(18-16-31)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26,29H,15-20H2
InChIKeyCCSHGSXBXSXKDZ-UHFFFAOYSA-N
XLogP3.60
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one with MolForge

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Related Compounds

2-[(4-benzylpiperazino)methyl]-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768866
3-(1-Benzylpiperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 11718536
2-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135399708
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135848145
1,1-Dimethyl-4-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-piperidinium
CID 16125257
3-(1-Benzyl-piperidin-4-yl)-5,5-dibenzyl-imidazolidine-2,4-dione
CID 16125437
3-(1-Methyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125443
3-(1-Phenylethyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125505
4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 53098498
(3R,4aR,7S)-3-phenyl-7-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one
CID 76314327
(7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride
CID 90668469
2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135958353

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 2768885) is 2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is O=c1nc2ccccc2c2n1CC(CN1CCN(C(c3ccccc3)c3ccccc3)CC1)N2.
What is the InChIKey of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is CCSHGSXBXSXKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O/c34-28-30-25-14-8-7-13-24(25)27-29-23(20-33(27)28)19-31-15-17-32(18-16-31)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26,29H,15-20H2.
What are the key properties of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 451.57 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 2768885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).