1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole

C39H38N2O — CID 167339206

IUPAC1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole
SMILESCC(C)Cc1cc(C(C)C)c(-n2c(-c3cccc4c3oc3c5ccccc5ccc43)nc3ccccc32)c(C(C)C)c1
InChIInChI=1S/C39H38N2O/c1-23(2)20-26-21-32(24(3)4)36(33(22-26)25(5)6)41-35-17-10-9-16-34(35)40-39(41)31-15-11-14-29-30-19-18-27-12-7-8-13-28(27)37(30)42-38(29)31/h7-19,21-25H,20H2,1-6H3
InChIKeyMXXKKFWVGBHLHZ-UHFFFAOYSA-N
MW550.75 g/mol
LogP11.19
Rot. Bonds6

About 1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole

1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole (PubChem CID 167339206) has the molecular formula C39H38N2O and a molecular weight of 550.75 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole
PubChem CID167339206
Molecular FormulaC39H38N2O
Molecular Weight550.75 g/mol
Exact Mass550.30
IUPAC Name1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole
SMILESCC(C)Cc1cc(C(C)C)c(-n2c(-c3cccc4c3oc3c5ccccc5ccc43)nc3ccccc32)c(C(C)C)c1
InChIInChI=1S/C39H38N2O/c1-23(2)20-26-21-32(24(3)4)36(33(22-26)25(5)6)41-35-17-10-9-16-34(35)40-39(41)31-15-11-14-29-30-19-18-27-12-7-8-13-28(27)37(30)42-38(29)31/h7-19,21-25H,20H2,1-6H3
InChIKeyMXXKKFWVGBHLHZ-UHFFFAOYSA-N
XLogP11.19
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.75
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane
CID 176583988
trimethyl-[4-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]phenyl]germane
CID 168743438
2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 156659584
10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline
CID 176752056
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-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 171461671
[4-(2-dibenzofuran-4-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-trimethylgermane
CID 170931400
[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
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-oxa-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 176823259
2-(7-tert-butylphenanthro[1,2-b][1]benzofuran-10-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176724514

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole?
The IUPAC name of 1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole (CID 167339206) is 1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole.
What is the SMILES notation for 1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole?
The canonical SMILES for 1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole is CC(C)Cc1cc(C(C)C)c(-n2c(-c3cccc4c3oc3c5ccccc5ccc43)nc3ccccc32)c(C(C)C)c1.
What is the InChIKey of 1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole?
The InChIKey is MXXKKFWVGBHLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38N2O/c1-23(2)20-26-21-32(24(3)4)36(33(22-26)25(5)6)41-35-17-10-9-16-34(35)40-39(41)31-15-11-14-29-30-19-18-27-12-7-8-13-28(27)37(30)42-38(29)31/h7-19,21-25H,20H2,1-6H3.
What are the key properties of 1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole?
1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole has a molecular weight of 550.75 g/mol, XLogP of 11.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole is sourced from PubChem (CID 167339206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).