2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine

C31H40N4O2 — CID 11799561

IUPAC2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(-c2nc3ccc(OCCN(CC)CC)cc3n2-c2ccccc2)cc1
InChIInChI=1S/C31H40N4O2/c1-5-33(6-2)20-22-36-27-16-14-25(15-17-27)31-32-29-19-18-28(37-23-21-34(7-3)8-4)24-30(29)35(31)26-12-10-9-11-13-26/h9-19,24H,5-8,20-23H2,1-4H3
InChIKeyPUDUQJQKUNZKMD-UHFFFAOYSA-N
MW500.69 g/mol
LogP6.13
Rot. Bonds14

About 2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine

2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine (PubChem CID 11799561) has the molecular formula C31H40N4O2 and a molecular weight of 500.69 g/mol. Its IUPAC name is 2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine
PubChem CID11799561
Molecular FormulaC31H40N4O2
Molecular Weight500.69 g/mol
Exact Mass500.32
IUPAC Name2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(-c2nc3ccc(OCCN(CC)CC)cc3n2-c2ccccc2)cc1
InChIInChI=1S/C31H40N4O2/c1-5-33(6-2)20-22-36-27-16-14-25(15-17-27)31-32-29-19-18-28(37-23-21-34(7-3)8-4)24-30(29)35(31)26-12-10-9-11-13-26/h9-19,24H,5-8,20-23H2,1-4H3
InChIKeyPUDUQJQKUNZKMD-UHFFFAOYSA-N
XLogP6.13
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate
CID 15296815
6-hexoxy-2-(3-methylphenyl)-1-phenylbenzimidazole
CID 141037240
5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
CID 15296805
3-[3-butyl-2-(4-phenylmethoxyphenyl)benzimidazol-5-yl]oxy-N,N-diethylpropan-1-amine
CID 59699031
methyl 7-(2,3-diphenylbenzimidazol-5-yl)oxyheptanoate
CID 10202839
N,N-diethyl-3-[4-[1-[(E)-4-(2-phenylbenzimidazol-1-yl)but-2-enyl]benzimidazol-2-yl]phenoxy]propan-1-amine
CID 15291585
2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole
CID 19354019
N,N-diethyl-2-(2-phenylquinolin-7-yl)oxyethanamine
CID 154372459
methyl 6-[2-(3-methylphenyl)-3-phenylbenzimidazol-5-yl]oxyhexanoate
CID 67366010
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine (CID 11799561) is 2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccc(-c2nc3ccc(OCCN(CC)CC)cc3n2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine?
The InChIKey is PUDUQJQKUNZKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O2/c1-5-33(6-2)20-22-36-27-16-14-25(15-17-27)31-32-29-19-18-28(37-23-21-34(7-3)8-4)24-30(29)35(31)26-12-10-9-11-13-26/h9-19,24H,5-8,20-23H2,1-4H3.
What are the key properties of 2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine?
2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine has a molecular weight of 500.69 g/mol, XLogP of 6.13, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 11799561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).