6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole

C30H27N5O — CID 118707015

IUPAC6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole
SMILESc1cc2oc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cc3)cc2cc1C1=NCCCN1
InChIInChI=1S/C30H27N5O/c1-11-31-29(32-12-1)22-9-10-27-24(15-22)18-28(36-27)20-5-3-19(4-6-20)25-16-21-7-8-23(17-26(21)35-25)30-33-13-2-14-34-30/h3-10,15-18,35H,1-2,11-14H2,(H,31,32)(H,33,34)
InChIKeyUWBWRBQXWGFBMY-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.73
Rot. Bonds4

About 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole

6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole (PubChem CID 118707015) has the molecular formula C30H27N5O and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole.

Molecular Properties

Compound Name6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole
PubChem CID118707015
Molecular FormulaC30H27N5O
Molecular Weight473.58 g/mol
Exact Mass473.22
IUPAC Name6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole
SMILESc1cc2oc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cc3)cc2cc1C1=NCCCN1
InChIInChI=1S/C30H27N5O/c1-11-31-29(32-12-1)22-9-10-27-24(15-22)18-28(36-27)20-5-3-19(4-6-20)25-16-21-7-8-23(17-26(21)35-25)30-33-13-2-14-34-30/h3-10,15-18,35H,1-2,11-14H2,(H,31,32)(H,33,34)
InChIKeyUWBWRBQXWGFBMY-UHFFFAOYSA-N
XLogP5.73
TPSA77.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole 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 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole?
The IUPAC name of 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole (CID 118707015) is 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole.
What is the SMILES notation for 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole?
The canonical SMILES for 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole is c1cc2oc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cc3)cc2cc1C1=NCCCN1.
What is the InChIKey of 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole?
The InChIKey is UWBWRBQXWGFBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O/c1-11-31-29(32-12-1)22-9-10-27-24(15-22)18-28(36-27)20-5-3-19(4-6-20)25-16-21-7-8-23(17-26(21)35-25)30-33-13-2-14-34-30/h3-10,15-18,35H,1-2,11-14H2,(H,31,32)(H,33,34).
What are the key properties of 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole?
6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole has a molecular weight of 473.58 g/mol, XLogP of 5.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]-1H-indole is sourced from PubChem (CID 118707015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).