1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole

C38H30N4O2 — CID 71494815

IUPAC1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole
SMILESc1ccc2c(-c3c(OCCn4cnc5ccccc54)ccc4ccccc34)c(OCCn3cnc4ccccc43)ccc2c1
InChIInChI=1S/C38H30N4O2/c1-3-11-29-27(9-1)17-19-35(43-23-21-41-25-39-31-13-5-7-15-33(31)41)37(29)38-30-12-4-2-10-28(30)18-20-36(38)44-24-22-42-26-40-32-14-6-8-16-34(32)42/h1-20,25-26H,21-24H2
InChIKeySSGTXLFSNIWGIK-UHFFFAOYSA-N
MW574.68 g/mol
LogP8.52
Rot. Bonds9

About 1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole

1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole (PubChem CID 71494815) has the molecular formula C38H30N4O2 and a molecular weight of 574.68 g/mol. Its IUPAC name is 1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole
PubChem CID71494815
Molecular FormulaC38H30N4O2
Molecular Weight574.68 g/mol
Exact Mass574.24
IUPAC Name1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole
SMILESc1ccc2c(-c3c(OCCn4cnc5ccccc54)ccc4ccccc34)c(OCCn3cnc4ccccc43)ccc2c1
InChIInChI=1S/C38H30N4O2/c1-3-11-29-27(9-1)17-19-35(43-23-21-41-25-39-31-13-5-7-15-33(31)41)37(29)38-30-12-4-2-10-28(30)18-20-36(38)44-24-22-42-26-40-32-14-6-8-16-34(32)42/h1-20,25-26H,21-24H2
InChIKeySSGTXLFSNIWGIK-UHFFFAOYSA-N
XLogP8.52
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
1-[2-(4-bromo-2-chlorophenoxy)ethyl]benzimidazole
CID 1262324
1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446861
1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 16994969
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole
CID 934444
1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride
CID 2965821
1-(phenylsulfanylmethyl)benzimidazole
CID 1042754
1-[(E)-pent-3-enyl]benzimidazole
CID 135077117
2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol
CID 12994977
2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene
CID 12994979

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole?
The IUPAC name of 1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole (CID 71494815) is 1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole.
What is the SMILES notation for 1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole?
The canonical SMILES for 1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole is c1ccc2c(-c3c(OCCn4cnc5ccccc54)ccc4ccccc34)c(OCCn3cnc4ccccc43)ccc2c1.
What is the InChIKey of 1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole?
The InChIKey is SSGTXLFSNIWGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4O2/c1-3-11-29-27(9-1)17-19-35(43-23-21-41-25-39-31-13-5-7-15-33(31)41)37(29)38-30-12-4-2-10-28(30)18-20-36(38)44-24-22-42-26-40-32-14-6-8-16-34(32)42/h1-20,25-26H,21-24H2.
What are the key properties of 1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole?
1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole has a molecular weight of 574.68 g/mol, XLogP of 8.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole is sourced from PubChem (CID 71494815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).