3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine

C30H27N3O — CID 176644255

IUPAC3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine
SMILESCc1cc(C)c(-n2c(-c3cccc4c3oc3cc(C(C)C)ncc34)nc3ccccc32)c(C)c1
InChIInChI=1S/C30H27N3O/c1-17(2)25-15-27-23(16-31-25)21-9-8-10-22(29(21)34-27)30-32-24-11-6-7-12-26(24)33(30)28-19(4)13-18(3)14-20(28)5/h6-17H,1-5H3
InChIKeyRBJNVXDJQDSTTM-UHFFFAOYSA-N
MW445.57 g/mol
LogP8.04
Rot. Bonds3

About 3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine

3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 176644255) has the molecular formula C30H27N3O and a molecular weight of 445.57 g/mol. Its IUPAC name is 3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine
PubChem CID176644255
Molecular FormulaC30H27N3O
Molecular Weight445.57 g/mol
Exact Mass445.22
IUPAC Name3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine
SMILESCc1cc(C)c(-n2c(-c3cccc4c3oc3cc(C(C)C)ncc34)nc3ccccc32)c(C)c1
InChIInChI=1S/C30H27N3O/c1-17(2)25-15-27-23(16-31-25)21-9-8-10-22(29(21)34-27)30-32-24-11-6-7-12-26(24)33(30)28-19(4)13-18(3)14-20(28)5/h6-17H,1-5H3
InChIKeyRBJNVXDJQDSTTM-UHFFFAOYSA-N
XLogP8.04
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669778
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)benzimidazole
CID 156657597
2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole
CID 156657519
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176751448
2-[9-methyl-7-(trideuteriomethyl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 159199965
[4-(2-dibenzofuran-4-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-trimethylgermane
CID 170931400
1-[2,6-bis(2-deuteriopropan-2-yl)-4-phenylphenyl]-2-(7,8-dimethyldibenzofuran-4-yl)benzimidazole
CID 156658516
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
6-[1-[4-[methyl(diphenyl)silyl]-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 172542709

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine (CID 176644255) is 3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine is Cc1cc(C)c(-n2c(-c3cccc4c3oc3cc(C(C)C)ncc34)nc3ccccc32)c(C)c1.
What is the InChIKey of 3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is RBJNVXDJQDSTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O/c1-17(2)25-15-27-23(16-31-25)21-9-8-10-22(29(21)34-27)30-32-24-11-6-7-12-26(24)33(30)28-19(4)13-18(3)14-20(28)5/h6-17H,1-5H3.
What are the key properties of 3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine?
3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 445.57 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 176644255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).