3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole

C116H102N16O4 — CID 158212241

IUPAC3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole
SMILESC.C.C.COc1cccc(-c2ccc(CCn3cnc4ccccc43)cc2)c1.N#Cc1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1-n1ccnc1.N#Cc1cccc(-c2ccc(CCn3cnc4ccccc43)cc2)c1.O=C(O)c1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1-n1ccnc1.Oc1cccc(-c2ccc(CCn3cnc4ccccc43)cc2)c1
InChIInChI=1S/C24H17N5.C24H18N4O2.C22H17N3.C22H20N2O.C21H18N2O.3CH4/c25-14-21-10-9-20(13-24(21)28-12-11-26-16-28)19-7-5-18(6-8-19)15-29-17-27-22-3-1-2-4-23(22)29;29-24(30)20-10-9-19(13-23(20)27-12-11-25-15-27)18-7-5-17(6-8-18)14-28-16-26-21-3-1-2-4-22(21)28;23-15-18-4-3-5-20(14-18)19-10-8-17(9-11-19)12-13-25-16-24-21-6-1-2-7-22(21)25;1-25-20-6-4-5-19(15-20)18-11-9-17(10-12-18)13-14-24-16-23-21-7-2-3-8-22(21)24;24-19-5-3-4-18(14-19)17-10-8-16(9-11-17)12-13-23-15-22-20-6-1-2-7-21(20)23;;;/h1-13,16-17H,15H2;1-13,15-16H,14H2,(H,29,30);1-11,14,16H,12-13H2;2-12,15-16H,13-14H2,1H3;1-11,14-15,24H,12-13H2;3*1H4
InChIKeyGCFIQQCCJCSHSA-UHFFFAOYSA-N
MW1784.20 g/mol
LogP25.78
Rot. Bonds22

About 3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole

3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole (PubChem CID 158212241) has the molecular formula C116H102N16O4 and a molecular weight of 1784.20 g/mol. Its IUPAC name is 3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole
PubChem CID158212241
Molecular FormulaC116H102N16O4
Molecular Weight1784.20 g/mol
Exact Mass1782.83
IUPAC Name3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole
SMILESC.C.C.COc1cccc(-c2ccc(CCn3cnc4ccccc43)cc2)c1.N#Cc1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1-n1ccnc1.N#Cc1cccc(-c2ccc(CCn3cnc4ccccc43)cc2)c1.O=C(O)c1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1-n1ccnc1.Oc1cccc(-c2ccc(CCn3cnc4ccccc43)cc2)c1
InChIInChI=1S/C24H17N5.C24H18N4O2.C22H17N3.C22H20N2O.C21H18N2O.3CH4/c25-14-21-10-9-20(13-24(21)28-12-11-26-16-28)19-7-5-18(6-8-19)15-29-17-27-22-3-1-2-4-23(22)29;29-24(30)20-10-9-19(13-23(20)27-12-11-25-15-27)18-7-5-17(6-8-18)14-28-16-26-21-3-1-2-4-22(21)28;23-15-18-4-3-5-20(14-18)19-10-8-17(9-11-19)12-13-25-16-24-21-6-1-2-7-22(21)25;1-25-20-6-4-5-19(15-20)18-11-9-17(10-12-18)13-14-24-16-23-21-7-2-3-8-22(21)24;24-19-5-3-4-18(14-19)17-10-8-16(9-11-17)12-13-23-15-22-20-6-1-2-7-21(20)23;;;/h1-13,16-17H,15H2;1-13,15-16H,14H2,(H,29,30);1-11,14,16H,12-13H2;2-12,15-16H,13-14H2,1H3;1-11,14-15,24H,12-13H2;3*1H4
InChIKeyGCFIQQCCJCSHSA-UHFFFAOYSA-N
XLogP25.78
TPSA239.08 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001784.20
LogP ≤ 525.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole (CID 158212241) is 3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole is C.C.C.COc1cccc(-c2ccc(CCn3cnc4ccccc43)cc2)c1.N#Cc1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1-n1ccnc1.N#Cc1cccc(-c2ccc(CCn3cnc4ccccc43)cc2)c1.O=C(O)c1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1-n1ccnc1.Oc1cccc(-c2ccc(CCn3cnc4ccccc43)cc2)c1.
What is the InChIKey of 3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole?
The InChIKey is GCFIQQCCJCSHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5.C24H18N4O2.C22H17N3.C22H20N2O.C21H18N2O.3CH4/c25-14-21-10-9-20(13-24(21)28-12-11-26-16-28)19-7-5-18(6-8-19)15-29-17-27-22-3-1-2-4-23(22)29;29-24(30)20-10-9-19(13-23(20)27-12-11-25-15-27)18-7-5-17(6-8-18)14-28-16-26-21-3-1-2-4-22(21)28;23-15-18-4-3-5-20(14-18)19-10-8-17(9-11-19)12-13-25-16-24-21-6-1-2-7-22(21)25;1-25-20-6-4-5-19(15-20)18-11-9-17(10-12-18)13-14-24-16-23-21-7-2-3-8-22(21)24;24-19-5-3-4-18(14-19)17-10-8-16(9-11-17)12-13-23-15-22-20-6-1-2-7-21(20)23;;;/h1-13,16-17H,15H2;1-13,15-16H,14H2,(H,29,30);1-11,14,16H,12-13H2;2-12,15-16H,13-14H2,1H3;1-11,14-15,24H,12-13H2;3*1H4.
What are the key properties of 3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole?
3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole has a molecular weight of 1784.20 g/mol, XLogP of 25.78, 22 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 158212241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).