5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one

C37H26N4O2 — CID 172507323

IUPAC5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3cccc(-c4cc(-c5cccc6oc7ccccc7c56)nc(-c5ccccc5)n4)c3)ccc21
InChIInChI=1S/C37H26N4O2/c1-40-31-19-18-25(21-32(31)41(2)37(40)42)24-12-8-13-26(20-24)29-22-30(39-36(38-29)23-10-4-3-5-11-23)27-15-9-17-34-35(27)28-14-6-7-16-33(28)43-34/h3-22H,1-2H3
InChIKeyKALCAJTZZGMKTR-UHFFFAOYSA-N
MW558.64 g/mol
LogP8.23
Rot. Bonds4

About 5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one

5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 172507323) has the molecular formula C37H26N4O2 and a molecular weight of 558.64 g/mol. Its IUPAC name is 5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID172507323
Molecular FormulaC37H26N4O2
Molecular Weight558.64 g/mol
Exact Mass558.21
IUPAC Name5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3cccc(-c4cc(-c5cccc6oc7ccccc7c56)nc(-c5ccccc5)n4)c3)ccc21
InChIInChI=1S/C37H26N4O2/c1-40-31-19-18-25(21-32(31)41(2)37(40)42)24-12-8-13-26(20-24)29-22-30(39-36(38-29)23-10-4-3-5-11-23)27-15-9-17-34-35(27)28-14-6-7-16-33(28)43-34/h3-22H,1-2H3
InChIKeyKALCAJTZZGMKTR-UHFFFAOYSA-N
XLogP8.23
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.64
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-[3-[2-phenyl-6-(3-phenyldibenzofuran-1-yl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 167485372
5-[3-[6-(3-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485284
5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485479
5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507120
1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one
CID 172507483
1,3-dimethyl-5-[4-[4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 167485227
1,3-dimethyl-5-[4-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]benzimidazol-2-one
CID 172507309
5-[3-(6-chrysen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507310
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507247
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
1,3-dimethyl-5-[4-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-phenylpyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 172507623
1,3-dimethyl-5-[4-[4-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507396

Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one (CID 172507323) is 5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(-c3cccc(-c4cc(-c5cccc6oc7ccccc7c56)nc(-c5ccccc5)n4)c3)ccc21.
What is the InChIKey of 5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is KALCAJTZZGMKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4O2/c1-40-31-19-18-25(21-32(31)41(2)37(40)42)24-12-8-13-26(20-24)29-22-30(39-36(38-29)23-10-4-3-5-11-23)27-15-9-17-34-35(27)28-14-6-7-16-33(28)43-34/h3-22H,1-2H3.
What are the key properties of 5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one?
5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 558.64 g/mol, XLogP of 8.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 172507323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).