6-hexoxy-1,2-diphenylbenzimidazole

C25H26N2O — CID 70171573

IUPAC6-hexoxy-1,2-diphenylbenzimidazole
SMILESCCCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C25H26N2O/c1-2-3-4-11-18-28-22-16-17-23-24(19-22)27(21-14-9-6-10-15-21)25(26-23)20-12-7-5-8-13-20/h5-10,12-17,19H,2-4,11,18H2,1H3
InChIKeyPCEPVVKWCKGEGP-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.65
Rot. Bonds8

About 6-hexoxy-1,2-diphenylbenzimidazole

6-hexoxy-1,2-diphenylbenzimidazole (PubChem CID 70171573) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 6-hexoxy-1,2-diphenylbenzimidazole.

Molecular Properties

Compound Name6-hexoxy-1,2-diphenylbenzimidazole
PubChem CID70171573
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name6-hexoxy-1,2-diphenylbenzimidazole
SMILESCCCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C25H26N2O/c1-2-3-4-11-18-28-22-16-17-23-24(19-22)27(21-14-9-6-10-15-21)25(26-23)20-12-7-5-8-13-20/h5-10,12-17,19H,2-4,11,18H2,1H3
InChIKeyPCEPVVKWCKGEGP-UHFFFAOYSA-N
XLogP6.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-hexoxy-2-(3-methylphenyl)-1-phenylbenzimidazole
CID 141037240
5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
CID 15296805
methyl 7-(2,3-diphenylbenzimidazol-5-yl)oxyheptanoate
CID 10202839
ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate
CID 15296815
2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine
CID 11799561
methyl 6-[2-(3-methylphenyl)-3-phenylbenzimidazol-5-yl]oxyhexanoate
CID 67366010
methyl 6-[3-(3-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 10296194
methyl 6-[2-phenyl-3-(3-phenylmethoxyphenyl)benzimidazol-5-yl]oxyhexanoate
CID 67365250
methyl 6-[3-(3-cyanophenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 10138097
propan-2-yl 6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]oxyhexanoate
CID 10142261
methyl 6-[3-(9H-fluoren-2-yl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 67365288
2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid
CID 67365280

Frequently Asked Questions

What is the IUPAC name of 6-hexoxy-1,2-diphenylbenzimidazole?
The IUPAC name of 6-hexoxy-1,2-diphenylbenzimidazole (CID 70171573) is 6-hexoxy-1,2-diphenylbenzimidazole.
What is the SMILES notation for 6-hexoxy-1,2-diphenylbenzimidazole?
The canonical SMILES for 6-hexoxy-1,2-diphenylbenzimidazole is CCCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1.
What is the InChIKey of 6-hexoxy-1,2-diphenylbenzimidazole?
The InChIKey is PCEPVVKWCKGEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-2-3-4-11-18-28-22-16-17-23-24(19-22)27(21-14-9-6-10-15-21)25(26-23)20-12-7-5-8-13-20/h5-10,12-17,19H,2-4,11,18H2,1H3.
What are the key properties of 6-hexoxy-1,2-diphenylbenzimidazole?
6-hexoxy-1,2-diphenylbenzimidazole has a molecular weight of 370.50 g/mol, XLogP of 6.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexoxy-1,2-diphenylbenzimidazole is sourced from PubChem (CID 70171573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).