2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole

C34H26N4O2 — CID 56656113

IUPAC2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole
SMILESc1cc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C34H26N4O2/c1-2-9-30-29(8-1)35-33(36-30)25-12-16-27(17-13-25)39-21-23-6-5-7-24(20-23)22-40-28-18-14-26(15-19-28)34-37-31-10-3-4-11-32(31)38-34/h1-20H,21-22H2,(H,35,36)(H,37,38)
InChIKeyYQXPBQXXXDAANE-UHFFFAOYSA-N
MW522.61 g/mol
LogP7.93
Rot. Bonds8

About 2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole

2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole (PubChem CID 56656113) has the molecular formula C34H26N4O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is 2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole
PubChem CID56656113
Molecular FormulaC34H26N4O2
Molecular Weight522.61 g/mol
Exact Mass522.21
IUPAC Name2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole
SMILESc1cc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C34H26N4O2/c1-2-9-30-29(8-1)35-33(36-30)25-12-16-27(17-13-25)39-21-23-6-5-7-24(20-23)22-40-28-18-14-26(15-19-28)34-37-31-10-3-4-11-32(31)38-34/h1-20H,21-22H2,(H,35,36)(H,37,38)
InChIKeyYQXPBQXXXDAANE-UHFFFAOYSA-N
XLogP7.93
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole (CID 56656113) is 2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole is c1cc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of 2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole?
The InChIKey is YQXPBQXXXDAANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4O2/c1-2-9-30-29(8-1)35-33(36-30)25-12-16-27(17-13-25)39-21-23-6-5-7-24(20-23)22-40-28-18-14-26(15-19-28)34-37-31-10-3-4-11-32(31)38-34/h1-20H,21-22H2,(H,35,36)(H,37,38).
What are the key properties of 2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole?
2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole has a molecular weight of 522.61 g/mol, XLogP of 7.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 56656113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).