4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C26H21ClN4O — CID 3317067

IUPAC4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1ccccc1N1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1
InChIInChI=1S/C26H21ClN4O/c27-20-11-5-6-12-21(20)30-14-16-31(17-15-30)26-24-23(19-10-4-7-13-22(19)32-24)28-25(29-26)18-8-2-1-3-9-18/h1-13H,14-17H2
InChIKeyZHBGQUVTXDPTFU-UHFFFAOYSA-N
MW440.93 g/mol
LogP6.02
Rot. Bonds3

About 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 3317067) has the molecular formula C26H21ClN4O and a molecular weight of 440.93 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID3317067
Molecular FormulaC26H21ClN4O
Molecular Weight440.93 g/mol
Exact Mass440.14
IUPAC Name4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1ccccc1N1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1
InChIInChI=1S/C26H21ClN4O/c27-20-11-5-6-12-21(20)30-14-16-31(17-15-30)26-24-23(19-10-4-7-13-22(19)32-24)28-25(29-26)18-8-2-1-3-9-18/h1-13H,14-17H2
InChIKeyZHBGQUVTXDPTFU-UHFFFAOYSA-N
XLogP6.02
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
CID 52994815
4-[4-(2-chlorophenyl)piperazin-4-ium-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine chloride
CID 44662543
4-(4-methylpiperidin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
CID 52994852
2-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
CID 52994809
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 2005114
2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124766
2-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 6238087
2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124631
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 663361
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 3317067) is 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is Clc1ccccc1N1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ZHBGQUVTXDPTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O/c27-20-11-5-6-12-21(20)30-14-16-31(17-15-30)26-24-23(19-10-4-7-13-22(19)32-24)28-25(29-26)18-8-2-1-3-9-18/h1-13H,14-17H2.
What are the key properties of 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 440.93 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 3317067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).