2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one

C62H41FN18O6 — CID 143306634

IUPAC2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one
SMILESO=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1C1CC(n2c(=O)n(C3CC(n4c(=O)n(C5COc6ccccc65)c5nc(-n6cnc7ccccc76)ncc54)Oc4ccccc43)c3nc(-n4cnc5ccccc54)ncc32)Oc2cccc(F)c21
InChIInChI=1S/C62H41FN18O6/c63-35-14-11-23-50-53(35)44(79-54-39(70-60(79)82)26-64-57(71-54)74-30-67-36-15-3-6-18-40(36)74)25-52(87-50)78-45-27-65-58(75-31-68-37-16-4-7-19-41(37)75)72-55(45)80(61(78)83)43-24-51(86-49-22-10-2-12-33(43)49)77-46-28-66-59(76-32-69-38-17-5-8-20-42(38)76)73-56(46)81(62(77)84)47-29-85-48-21-9-1-13-34(47)48/h1-23,26-28,30-32,43-44,47,51-52H,24-25,29H2,(H,70,82)
InChIKeyWPPNMRKDNSLYMT-UHFFFAOYSA-N
MW1153.13 g/mol
LogP8.21
Rot. Bonds8

About 2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one

2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one (PubChem CID 143306634) has the molecular formula C62H41FN18O6 and a molecular weight of 1153.13 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one
PubChem CID143306634
Molecular FormulaC62H41FN18O6
Molecular Weight1153.13 g/mol
Exact Mass1152.34
IUPAC Name2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one
SMILESO=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1C1CC(n2c(=O)n(C3CC(n4c(=O)n(C5COc6ccccc65)c5nc(-n6cnc7ccccc76)ncc54)Oc4ccccc43)c3nc(-n4cnc5ccccc54)ncc32)Oc2cccc(F)c21
InChIInChI=1S/C62H41FN18O6/c63-35-14-11-23-50-53(35)44(79-54-39(70-60(79)82)26-64-57(71-54)74-30-67-36-15-3-6-18-40(36)74)25-52(87-50)78-45-27-65-58(75-31-68-37-16-4-7-19-41(37)75)72-55(45)80(61(78)83)43-24-51(86-49-22-10-2-12-33(43)49)77-46-28-66-59(76-32-69-38-17-5-8-20-42(38)76)73-56(46)81(62(77)84)47-29-85-48-21-9-1-13-34(47)48/h1-23,26-28,30-32,43-44,47,51-52H,24-25,29H2,(H,70,82)
InChIKeyWPPNMRKDNSLYMT-UHFFFAOYSA-N
XLogP8.21
TPSA250.14 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.13
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one 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

(R)-2-(1H-benzo[d]imidazol-1-yl)-9-(8-fluorochroman-4-yl)-7H-purin-8(9H)-one
CID 11844913
2-(benzimidazol-1-yl)-9-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one
CID 11951225
(+/-)-2-(1H-benzo[d]imidazol-1-yl)-9-(chroman-4-yl)-7H-purin-8(9H)-one
CID 46879422
2-(benzimidazol-1-yl)-9-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one
CID 46879423
(+/-)-2-(1H-benzo[d]imidazol-1-yl)-9-(7-fluorochroman-4-yl)-7H-purin-8(9H)-one
CID 46879484
2-(benzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one
CID 46879485
(S)-2-(1H-benzo[d]imidazol-1-yl)-9-(8-fluorochroman-4-yl)-7H-purin-8(9H)-one
CID 46879546
8H-Purin-8-one, 2-(6-fluoro-1H-benzimidazol-1-yl)-9-[(4R)-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]-7,9-dihydro-
CID 49831024
US11834453, Example 454
CID 167318632
US11834453, Example 481
CID 167318706
US11834453, Example 204
CID 167318743
US11834453, Example 457
CID 167318772

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one?
The IUPAC name of 2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one (CID 143306634) is 2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one.
What is the SMILES notation for 2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one?
The canonical SMILES for 2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one is O=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1C1CC(n2c(=O)n(C3CC(n4c(=O)n(C5COc6ccccc65)c5nc(-n6cnc7ccccc76)ncc54)Oc4ccccc43)c3nc(-n4cnc5ccccc54)ncc32)Oc2cccc(F)c21.
What is the InChIKey of 2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one?
The InChIKey is WPPNMRKDNSLYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41FN18O6/c63-35-14-11-23-50-53(35)44(79-54-39(70-60(79)82)26-64-57(71-54)74-30-67-36-15-3-6-18-40(36)74)25-52(87-50)78-45-27-65-58(75-31-68-37-16-4-7-19-41(37)75)72-55(45)80(61(78)83)43-24-51(86-49-22-10-2-12-33(43)49)77-46-28-66-59(76-32-69-38-17-5-8-20-42(38)76)73-56(46)81(62(77)84)47-29-85-48-21-9-1-13-34(47)48/h1-23,26-28,30-32,43-44,47,51-52H,24-25,29H2,(H,70,82).
What are the key properties of 2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one?
2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one has a molecular weight of 1153.13 g/mol, XLogP of 8.21, 8 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one is sourced from PubChem (CID 143306634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).