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

C28H28ClN5O — CID 172724904

IUPAC2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one
SMILESCC1(C2CNCCN2C(c2ccccc2)c2ccc(Cl)cc2)Cn2c(c3ccccc3nc2=O)N1
InChIInChI=1S/C28H28ClN5O/c1-28(18-34-26(32-28)22-9-5-6-10-23(22)31-27(34)35)24-17-30-15-16-33(24)25(19-7-3-2-4-8-19)20-11-13-21(29)14-12-20/h2-14,24-25,30,32H,15-18H2,1H3
InChIKeyIPUDRJVKIJLGFD-UHFFFAOYSA-N
MW486.02 g/mol
LogP4.30
Rot. Bonds4

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

2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one (PubChem CID 172724904) has the molecular formula C28H28ClN5O and a molecular weight of 486.02 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one
PubChem CID172724904
Molecular FormulaC28H28ClN5O
Molecular Weight486.02 g/mol
Exact Mass485.20
IUPAC Name2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one
SMILESCC1(C2CNCCN2C(c2ccccc2)c2ccc(Cl)cc2)Cn2c(c3ccccc3nc2=O)N1
InChIInChI=1S/C28H28ClN5O/c1-28(18-34-26(32-28)22-9-5-6-10-23(22)31-27(34)35)24-17-30-15-16-33(24)25(19-7-3-2-4-8-19)20-11-13-21(29)14-12-20/h2-14,24-25,30,32H,15-18H2,1H3
InChIKeyIPUDRJVKIJLGFD-UHFFFAOYSA-N
XLogP4.30
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one (CID 172724904) is 2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one is CC1(C2CNCCN2C(c2ccccc2)c2ccc(Cl)cc2)Cn2c(c3ccccc3nc2=O)N1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The InChIKey is IPUDRJVKIJLGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5O/c1-28(18-34-26(32-28)22-9-5-6-10-23(22)31-27(34)35)24-17-30-15-16-33(24)25(19-7-3-2-4-8-19)20-11-13-21(29)14-12-20/h2-14,24-25,30,32H,15-18H2,1H3.
What are the key properties of 2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one?
2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one has a molecular weight of 486.02 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-2-yl]-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 172724904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).