1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole

C24H22N4O — CID 90039514

IUPAC1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1Cc1cccc(OCCn2cnc3ccccc32)c1
InChIInChI=1S/C24H22N4O/c1-18-26-22-10-3-5-12-24(22)28(18)16-19-7-6-8-20(15-19)29-14-13-27-17-25-21-9-2-4-11-23(21)27/h2-12,15,17H,13-14,16H2,1H3
InChIKeyFXTMJZIMPCNPIM-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.82
Rot. Bonds6

About 1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole

1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole (PubChem CID 90039514) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole
PubChem CID90039514
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1Cc1cccc(OCCn2cnc3ccccc32)c1
InChIInChI=1S/C24H22N4O/c1-18-26-22-10-3-5-12-24(22)28(18)16-19-7-6-8-20(15-19)29-14-13-27-17-25-21-9-2-4-11-23(21)27/h2-12,15,17H,13-14,16H2,1H3
InChIKeyFXTMJZIMPCNPIM-UHFFFAOYSA-N
XLogP4.82
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446862
2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane
CID 142063366
1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 2150317
1-[2-(3-bromophenoxy)ethyl]benzimidazole;oxalic acid
CID 2966083
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole
CID 16995223
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
4-[3-[[3-(2-methylbenzimidazol-1-yl)propylamino]methyl]phenoxy]butanenitrile
CID 119108804
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole
CID 934444
2-methyl-1-[(3-nitrophenyl)methyl]benzimidazole
CID 78906418
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole?
The IUPAC name of 1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole (CID 90039514) is 1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1Cc1cccc(OCCn2cnc3ccccc32)c1.
What is the InChIKey of 1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole?
The InChIKey is FXTMJZIMPCNPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-18-26-22-10-3-5-12-24(22)28(18)16-19-7-6-8-20(15-19)29-14-13-27-17-25-21-9-2-4-11-23(21)27/h2-12,15,17H,13-14,16H2,1H3.
What are the key properties of 1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole?
1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole has a molecular weight of 382.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole is sourced from PubChem (CID 90039514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).