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

C40H32N4O2 — CID 139074423

IUPAC2-(2-phenylmethoxyphenyl)-1H-benzimidazole
SMILESc1ccc(COc2ccccc2-c2nc3ccccc3[nH]2)cc1.c1ccc(COc2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/2C20H16N2O/c2*1-2-8-15(9-3-1)14-23-19-13-7-4-10-16(19)20-21-17-11-5-6-12-18(17)22-20/h2*1-13H,14H2,(H,21,22)
InChIKeyKGKXSWVJRYZRSS-UHFFFAOYSA-N
MW600.72 g/mol
LogP9.62
Rot. Bonds8

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

2-(2-phenylmethoxyphenyl)-1H-benzimidazole (PubChem CID 139074423) has the molecular formula C40H32N4O2 and a molecular weight of 600.72 g/mol. Its IUPAC name is 2-(2-phenylmethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-phenylmethoxyphenyl)-1H-benzimidazole
PubChem CID139074423
Molecular FormulaC40H32N4O2
Molecular Weight600.72 g/mol
Exact Mass600.25
IUPAC Name2-(2-phenylmethoxyphenyl)-1H-benzimidazole
SMILESc1ccc(COc2ccccc2-c2nc3ccccc3[nH]2)cc1.c1ccc(COc2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/2C20H16N2O/c2*1-2-8-15(9-3-1)14-23-19-13-7-4-10-16(19)20-21-17-11-5-6-12-18(17)22-20/h2*1-13H,14H2,(H,21,22)
InChIKeyKGKXSWVJRYZRSS-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

Bisbenzimide
CID 1464
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
Deltarasin
CID 73292904
[3-(4-{2'-[4-(3-Dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
CID 1946
ST076513
CID 732122
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
6-methoxy-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9797585
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-amine
CID 9883372
1-Benzyl-2-(4-{[(2r)-2-(2-Phenyl-1h-Benzimidazol-1-Yl)pent-4-En-1-Yl]oxy}phenyl)-1h-Benzimidazole
CID 73292574
2-(4-(4-Carbamimidoylphenoxy)phenyl)-1H-benzo[D]imidazole-6-carboximidamide
CID 456167

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(2-phenylmethoxyphenyl)-1H-benzimidazole (CID 139074423) is 2-(2-phenylmethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-phenylmethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-phenylmethoxyphenyl)-1H-benzimidazole is c1ccc(COc2ccccc2-c2nc3ccccc3[nH]2)cc1.c1ccc(COc2ccccc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(2-phenylmethoxyphenyl)-1H-benzimidazole?
The InChIKey is KGKXSWVJRYZRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16N2O/c2*1-2-8-15(9-3-1)14-23-19-13-7-4-10-16(19)20-21-17-11-5-6-12-18(17)22-20/h2*1-13H,14H2,(H,21,22).
What are the key properties of 2-(2-phenylmethoxyphenyl)-1H-benzimidazole?
2-(2-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-(2-phenylmethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 139074423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).