4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C22H20N6O — CID 663455

IUPAC4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2[nH]c(CN3CCN(c4ncnc5c4oc4ccccc45)CC3)nc2c1
InChIInChI=1S/C22H20N6O/c1-4-8-18-15(5-1)20-21(29-18)22(24-14-23-20)28-11-9-27(10-12-28)13-19-25-16-6-2-3-7-17(16)26-19/h1-8,14H,9-13H2,(H,25,26)
InChIKeyYJOVISWECAGURX-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.57
Rot. Bonds3

About 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 663455) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID663455
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2[nH]c(CN3CCN(c4ncnc5c4oc4ccccc45)CC3)nc2c1
InChIInChI=1S/C22H20N6O/c1-4-8-18-15(5-1)20-21(29-18)22(24-14-23-20)28-11-9-27(10-12-28)13-19-25-16-6-2-3-7-17(16)26-19/h1-8,14H,9-13H2,(H,25,26)
InChIKeyYJOVISWECAGURX-UHFFFAOYSA-N
XLogP3.57
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 663455) is 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc2[nH]c(CN3CCN(c4ncnc5c4oc4ccccc45)CC3)nc2c1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is YJOVISWECAGURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-4-8-18-15(5-1)20-21(29-18)22(24-14-23-20)28-11-9-27(10-12-28)13-19-25-16-6-2-3-7-17(16)26-19/h1-8,14H,9-13H2,(H,25,26).
What are the key properties of 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 384.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 663455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).