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

C28H28ClN5O — CID 135958353

IUPAC2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC1)N2
InChIInChI=1S/C28H28ClN5O/c29-22-12-10-21(11-13-22)26(20-6-2-1-3-7-20)33-16-14-32(15-17-33)18-23-19-34-27(30-23)24-8-4-5-9-25(24)31-28(34)35/h1-13,23,26,30H,14-19H2
InChIKeyNEDSLVNCHHMZIP-UHFFFAOYSA-N
MW486.02 g/mol
LogP4.25
Rot. Bonds5

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

2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 135958353) has the molecular formula C28H28ClN5O and a molecular weight of 486.02 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID135958353
Molecular FormulaC28H28ClN5O
Molecular Weight486.02 g/mol
Exact Mass485.20
IUPAC Name2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC1)N2
InChIInChI=1S/C28H28ClN5O/c29-22-12-10-21(11-13-22)26(20-6-2-1-3-7-20)33-16-14-32(15-17-33)18-23-19-34-27(30-23)24-8-4-5-9-25(24)31-28(34)35/h1-13,23,26,30H,14-19H2
InChIKeyNEDSLVNCHHMZIP-UHFFFAOYSA-N
XLogP4.25
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 135958353) is 2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is O=c1nc2ccccc2c2n1CC(CN1CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC1)N2.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is NEDSLVNCHHMZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5O/c29-22-12-10-21(11-13-22)26(20-6-2-1-3-7-20)33-16-14-32(15-17-33)18-23-19-34-27(30-23)24-8-4-5-9-25(24)31-28(34)35/h1-13,23,26,30H,14-19H2.
What are the key properties of 2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 486.02 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 135958353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).