2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine

C38H35N3O — CID 156657144

IUPAC2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
SMILESCc1ccc2c(c1)oc1c(-c3nc4ccncc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)ccc(C)c12
InChIInChI=1S/C38H35N3O/c1-22(2)30-19-27(26-10-8-7-9-11-26)20-31(23(3)4)36(30)41-33-21-39-17-16-32(33)40-38(41)29-15-13-25(6)35-28-14-12-24(5)18-34(28)42-37(29)35/h7-23H,1-6H3
InChIKeyWZKNECCNBHHIAL-UHFFFAOYSA-N
MW549.72 g/mol
LogP10.52
Rot. Bonds5

About 2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine

2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine (PubChem CID 156657144) has the molecular formula C38H35N3O and a molecular weight of 549.72 g/mol. Its IUPAC name is 2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
PubChem CID156657144
Molecular FormulaC38H35N3O
Molecular Weight549.72 g/mol
Exact Mass549.28
IUPAC Name2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
SMILESCc1ccc2c(c1)oc1c(-c3nc4ccncc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)ccc(C)c12
InChIInChI=1S/C38H35N3O/c1-22(2)30-19-27(26-10-8-7-9-11-26)20-31(23(3)4)36(30)41-33-21-39-17-16-32(33)40-38(41)29-15-13-25(6)35-28-14-12-24(5)18-34(28)42-37(29)35/h7-23H,1-6H3
InChIKeyWZKNECCNBHHIAL-UHFFFAOYSA-N
XLogP10.52
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,6-bis(2-deuteriopropan-2-yl)-4-phenylphenyl]-2-(1,7-dimethyldibenzofuran-4-yl)benzimidazole
CID 166499090
2-(1-methyl-7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316049
3-(2-tert-butyl-4-phenyl-6-propan-2-ylphenyl)-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 166498993
2-(7-fluoro-1-methyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316047
1,3,5-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 156667608
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 169299441
1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 156669552
2-dibenzofuran-2-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 156657325
3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine
CID 156657222
2-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-5-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624399
2-(1-tert-butyl-7-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176724376
2-[9-methyl-7-(trideuteriomethyl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 159199965

Frequently Asked Questions

What is the IUPAC name of 2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine (CID 156657144) is 2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine is Cc1ccc2c(c1)oc1c(-c3nc4ccncc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)ccc(C)c12.
What is the InChIKey of 2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine?
The InChIKey is WZKNECCNBHHIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N3O/c1-22(2)30-19-27(26-10-8-7-9-11-26)20-31(23(3)4)36(30)41-33-21-39-17-16-32(33)40-38(41)29-15-13-25(6)35-28-14-12-24(5)18-34(28)42-37(29)35/h7-23H,1-6H3.
What are the key properties of 2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine?
2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine has a molecular weight of 549.72 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 156657144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).