2-(3-phenoxyphenyl)-1H-benzimidazole

C19H14N2O — CID 1042921

IUPAC2-(3-phenoxyphenyl)-1H-benzimidazole
SMILESc1ccc(Oc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C19H14N2O/c1-2-8-15(9-3-1)22-16-10-6-7-14(13-16)19-20-17-11-4-5-12-18(17)21-19/h1-13H,(H,20,21)
InChIKeyUMFURDKOTSFXOO-UHFFFAOYSA-N
MW286.33 g/mol
LogP5.02
Rot. Bonds3

About 2-(3-phenoxyphenyl)-1H-benzimidazole

2-(3-phenoxyphenyl)-1H-benzimidazole (PubChem CID 1042921) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-phenoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-phenoxyphenyl)-1H-benzimidazole
PubChem CID1042921
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name2-(3-phenoxyphenyl)-1H-benzimidazole
SMILESc1ccc(Oc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C19H14N2O/c1-2-8-15(9-3-1)22-16-10-6-7-14(13-16)19-20-17-11-4-5-12-18(17)21-19/h1-13H,(H,20,21)
InChIKeyUMFURDKOTSFXOO-UHFFFAOYSA-N
XLogP5.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.33
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Etodesnitazene
CID 149797386
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-(2'-Hydroxyphenyl)benzimidazole
CID 18075
Cra_10655
CID 447480
Cra_10656
CID 447482
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
ST076513
CID 732122
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
3-(1H-Benzoimidazol-2-yl)-phenol
CID 763204
2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
CID 393989
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-4-ol
CID 9796984

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(3-phenoxyphenyl)-1H-benzimidazole (CID 1042921) is 2-(3-phenoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-phenoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(3-phenoxyphenyl)-1H-benzimidazole is c1ccc(Oc2cccc(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of 2-(3-phenoxyphenyl)-1H-benzimidazole?
The InChIKey is UMFURDKOTSFXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-2-8-15(9-3-1)22-16-10-6-7-14(13-16)19-20-17-11-4-5-12-18(17)21-19/h1-13H,(H,20,21).
What are the key properties of 2-(3-phenoxyphenyl)-1H-benzimidazole?
2-(3-phenoxyphenyl)-1H-benzimidazole has a molecular weight of 286.33 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 1042921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).