2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole

C37H38N2O — CID 176784424

IUPAC2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(C4CCCCC4)ccc23)nc2ccccc21
InChIInChI=1S/C37H38N2O/c1-23(2)27-14-10-15-28(24(3)4)35(27)39-33-19-9-8-18-32(33)38-37(39)31-17-11-16-30-29-21-20-26(22-34(29)40-36(30)31)25-12-6-5-7-13-25/h8-11,14-25H,5-7,12-13H2,1-4H3
InChIKeyNVUWAOPZJNLEKG-UHFFFAOYSA-N
MW526.72 g/mol
LogP10.89
Rot. Bonds5

About 2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole

2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole (PubChem CID 176784424) has the molecular formula C37H38N2O and a molecular weight of 526.72 g/mol. Its IUPAC name is 2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
PubChem CID176784424
Molecular FormulaC37H38N2O
Molecular Weight526.72 g/mol
Exact Mass526.30
IUPAC Name2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(C4CCCCC4)ccc23)nc2ccccc21
InChIInChI=1S/C37H38N2O/c1-23(2)27-14-10-15-28(24(3)4)35(27)39-33-19-9-8-18-32(33)38-37(39)31-17-11-16-30-29-21-20-26(22-34(29)40-36(30)31)25-12-6-5-7-13-25/h8-11,14-25H,5-7,12-13H2,1-4H3
InChIKeyNVUWAOPZJNLEKG-UHFFFAOYSA-N
XLogP10.89
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.72
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
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-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
[4-(2-dibenzofuran-4-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-trimethylgermane
CID 170931400
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
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
6-[1-[4-[methyl(diphenyl)silyl]-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 172542709
6-[1-[4-di(propan-2-yl)phosphanyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 172542795
10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline
CID 176752056

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole?
The IUPAC name of 2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole (CID 176784424) is 2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole?
The canonical SMILES for 2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole is CC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(C4CCCCC4)ccc23)nc2ccccc21.
What is the InChIKey of 2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole?
The InChIKey is NVUWAOPZJNLEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O/c1-23(2)27-14-10-15-28(24(3)4)35(27)39-33-19-9-8-18-32(33)38-37(39)31-17-11-16-30-29-21-20-26(22-34(29)40-36(30)31)25-12-6-5-7-13-25/h8-11,14-25H,5-7,12-13H2,1-4H3.
What are the key properties of 2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole?
2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole has a molecular weight of 526.72 g/mol, XLogP of 10.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 176784424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).