2-(4-phenylmethoxyphenyl)-1H-benzimidazole

C40H32N4O2 — CID 159450012

IUPAC2-(4-phenylmethoxyphenyl)-1H-benzimidazole
SMILESc1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.c1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/2C20H16N2O/c2*1-2-6-15(7-3-1)14-23-17-12-10-16(11-13-17)20-21-18-8-4-5-9-19(18)22-20/h2*1-13H,14H2,(H,21,22)
InChIKeyLTGFEFMTCWSOOP-UHFFFAOYSA-N
MW600.72 g/mol
LogP9.62
Rot. Bonds8

About 2-(4-phenylmethoxyphenyl)-1H-benzimidazole

2-(4-phenylmethoxyphenyl)-1H-benzimidazole (PubChem CID 159450012) has the molecular formula C40H32N4O2 and a molecular weight of 600.72 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-1H-benzimidazole
PubChem CID159450012
Molecular FormulaC40H32N4O2
Molecular Weight600.72 g/mol
Exact Mass600.25
IUPAC Name2-(4-phenylmethoxyphenyl)-1H-benzimidazole
SMILESc1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.c1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/2C20H16N2O/c2*1-2-6-15(7-3-1)14-23-17-12-10-16(11-13-17)20-21-18-8-4-5-9-19(18)22-20/h2*1-13H,14H2,(H,21,22)
InChIKeyLTGFEFMTCWSOOP-UHFFFAOYSA-N
XLogP9.62
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 59.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
3-[4-[[4-(1H-benzimidazol-2-yl)phenyl]methoxy]phenyl]hex-4-ynoic acid
CID 59132653
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90357310
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-1H-benzimidazole (CID 159450012) is 2-(4-phenylmethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-1H-benzimidazole is c1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.c1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-1H-benzimidazole?
The InChIKey is LTGFEFMTCWSOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16N2O/c2*1-2-6-15(7-3-1)14-23-17-12-10-16(11-13-17)20-21-18-8-4-5-9-19(18)22-20/h2*1-13H,14H2,(H,21,22).
What are the key properties of 2-(4-phenylmethoxyphenyl)-1H-benzimidazole?
2-(4-phenylmethoxyphenyl)-1H-benzimidazole has a molecular weight of 600.72 g/mol, XLogP of 9.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 159450012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).