3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol

C24H15N3O2 — CID 135763173

IUPAC3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol
SMILESOc1cc2ccc(-c3nc4ccccc4o3)cc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H15N3O2/c28-21-13-14-9-10-15(24-27-20-7-3-4-8-22(20)29-24)11-16(14)12-17(21)23-25-18-5-1-2-6-19(18)26-23/h1-13,28H,(H,25,26)
InChIKeyJMLZGYBTJKVONT-UHFFFAOYSA-N
MW377.40 g/mol
LogP5.90
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol

3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol (PubChem CID 135763173) has the molecular formula C24H15N3O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol
PubChem CID135763173
Molecular FormulaC24H15N3O2
Molecular Weight377.40 g/mol
Exact Mass377.12
IUPAC Name3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol
SMILESOc1cc2ccc(-c3nc4ccccc4o3)cc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H15N3O2/c28-21-13-14-9-10-15(24-27-20-7-3-4-8-22(20)29-24)11-16(14)12-17(21)23-25-18-5-1-2-6-19(18)26-23/h1-13,28H,(H,25,26)
InChIKeyJMLZGYBTJKVONT-UHFFFAOYSA-N
XLogP5.90
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.40
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(1H-benzimidazol-2-yl)benzofuran-2-yl]phenyl]-1H-benzimidazole
CID 25139629
methyl 2-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]benzo[e][1]benzofuran-5-carboxylate;hydrochloride
CID 44581300
US10022387, Example 51
CID 122447498
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 25404880
US10022387, Example 14
CID 122447515
N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitro-2-furyl)-1H-benzimidazole-5-carbohydrazide
CID 53321121
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1H-benzimidazole-4-carboxylic acid
CID 136245141
N-(1-(1H-Benzimidazol-2-yl)-2-(2-hydroxy-1-naphthyl)vinyl)benzamide
CID 135429953
2-[1H-benzimidazol-2-yl-(5-fluoro-2-hydroxy-phenyl)methyl]-6-[4-[2-(dimethyl-amino)ethoxy]phenyl]isoindolin-1-one;hydrochloride
CID 164884007
6-[4-(azetidin-3-yloxy)phenyl]-2-[1H-benzimidazol-2-yl-(5-fluoro-2-hydroxyphenyl)methyl]-3H-isoindol-1-one
CID 166509733
9-hydroxy-2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]-3H-benzo[e]benzimidazole-7-carboxylic acid
CID 22566654
2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole;2,2,2-trifluoroacetic acid
CID 122447497

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol (CID 135763173) is 3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol is Oc1cc2ccc(-c3nc4ccccc4o3)cc2cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol?
The InChIKey is JMLZGYBTJKVONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O2/c28-21-13-14-9-10-15(24-27-20-7-3-4-8-22(20)29-24)11-16(14)12-17(21)23-25-18-5-1-2-6-19(18)26-23/h1-13,28H,(H,25,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol?
3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol has a molecular weight of 377.40 g/mol, XLogP of 5.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol is sourced from PubChem (CID 135763173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).