1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one

C41H28N4O2 — CID 172507483

IUPAC1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3cccc(-c4cc(-c5ccc6oc7cc8ccccc8cc7c6c5)nc(-c5ccccc5)n4)c3)ccc21
InChIInChI=1S/C41H28N4O2/c1-44-36-17-15-29(22-37(36)45(2)41(44)46)26-13-8-14-30(19-26)34-24-35(43-40(42-34)25-9-4-3-5-10-25)31-16-18-38-32(21-31)33-20-27-11-6-7-12-28(27)23-39(33)47-38/h3-24H,1-2H3
InChIKeyFKRUCNDMOUJJTA-UHFFFAOYSA-N
MW608.70 g/mol
LogP9.39
Rot. Bonds4

About 1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one

1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one (PubChem CID 172507483) has the molecular formula C41H28N4O2 and a molecular weight of 608.70 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one
PubChem CID172507483
Molecular FormulaC41H28N4O2
Molecular Weight608.70 g/mol
Exact Mass608.22
IUPAC Name1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3cccc(-c4cc(-c5ccc6oc7cc8ccccc8cc7c6c5)nc(-c5ccccc5)n4)c3)ccc21
InChIInChI=1S/C41H28N4O2/c1-44-36-17-15-29(22-37(36)45(2)41(44)46)26-13-8-14-30(19-26)34-24-35(43-40(42-34)25-9-4-3-5-10-25)31-16-18-38-32(21-31)33-20-27-11-6-7-12-28(27)23-39(33)47-38/h3-24H,1-2H3
InChIKeyFKRUCNDMOUJJTA-UHFFFAOYSA-N
XLogP9.39
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.70
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-[3-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 167485043
1,3-dimethyl-5-[4-[4-(3-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 167485459
5-[3-[6-(3-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485284
1,3-dimethyl-5-[4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzimidazol-2-one
CID 172507599
5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507323
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-[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
1,3-dimethyl-5-[3-[2-phenyl-6-(3-phenyldibenzofuran-1-yl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 167485372
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507247
5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485479
1,3-dimethyl-5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazol-2-one
CID 172507342

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one (CID 172507483) is 1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one is Cn1c(=O)n(C)c2cc(-c3cccc(-c4cc(-c5ccc6oc7cc8ccccc8cc7c6c5)nc(-c5ccccc5)n4)c3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one?
The InChIKey is FKRUCNDMOUJJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O2/c1-44-36-17-15-29(22-37(36)45(2)41(44)46)26-13-8-14-30(19-26)34-24-35(43-40(42-34)25-9-4-3-5-10-25)31-16-18-38-32(21-31)33-20-27-11-6-7-12-28(27)23-39(33)47-38/h3-24H,1-2H3.
What are the key properties of 1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one?
1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one has a molecular weight of 608.70 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one is sourced from PubChem (CID 172507483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).