3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

C34H22N4O2 — CID 136880938

IUPAC3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SMILESOc1c(-c2nc3ccccc3[nH]2)cc2ccccc2c1-c1c(O)c(-c2nc3ccccc3[nH]2)cc2ccccc12
InChIInChI=1S/C34H22N4O2/c39-31-23(33-35-25-13-5-6-14-26(25)36-33)17-19-9-1-3-11-21(19)29(31)30-22-12-4-2-10-20(22)18-24(32(30)40)34-37-27-15-7-8-16-28(27)38-34/h1-18,39-40H,(H,35,36)(H,37,38)
InChIKeyZMWHMWHLABKRBT-UHFFFAOYSA-N
MW518.58 g/mol
LogP8.16
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol (PubChem CID 136880938) has the molecular formula C34H22N4O2 and a molecular weight of 518.58 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
PubChem CID136880938
Molecular FormulaC34H22N4O2
Molecular Weight518.58 g/mol
Exact Mass518.17
IUPAC Name3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SMILESOc1c(-c2nc3ccccc3[nH]2)cc2ccccc2c1-c1c(O)c(-c2nc3ccccc3[nH]2)cc2ccccc12
InChIInChI=1S/C34H22N4O2/c39-31-23(33-35-25-13-5-6-14-26(25)36-33)17-19-9-1-3-11-21(19)29(31)30-22-12-4-2-10-20(22)18-24(32(30)40)34-37-27-15-7-8-16-28(27)38-34/h1-18,39-40H,(H,35,36)(H,37,38)
InChIKeyZMWHMWHLABKRBT-UHFFFAOYSA-N
XLogP8.16
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.58
LogP ≤ 58.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

PF-1367550
CID 135567293
2-(2-hydroxy-(1,1'-biphenyl)-3-yl)-1H-1,3-benzodiazole-5-carboximidamide
CID 1504
Phenol, 4,4'-[5,5'-bi-1H-benzimidazole]-2,2'-diylbis-
CID 449494
{amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
CID 135559081
2-[5-(2-aminoethyl)-2-hydroxy-3-phenylphenyl]-3H-benzimidazole-5-carboximidamide
CID 447506
6-(1,3-Dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one
CID 332972
1-[(1H-Benzimidazol-2-ylamino)methyl]-2-naphthol
CID 787416
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methylphenol
CID 135779185
2-[3-(5-fluoro-2-hydroxyphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide
CID 136094843
Cra_23653
CID 135559095
Phenol, 2,6-bis[[[2-(1H-benzimidazol-2-yl)ethyl]thio]methyl]-4-methyl-
CID 359278
1-({[2-(1H-benzimidazol-2-yl)phenyl]imino}methyl)-2-naphthol
CID 1207297

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol (CID 136880938) is 3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol is Oc1c(-c2nc3ccccc3[nH]2)cc2ccccc2c1-c1c(O)c(-c2nc3ccccc3[nH]2)cc2ccccc12.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The InChIKey is ZMWHMWHLABKRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O2/c39-31-23(33-35-25-13-5-6-14-26(25)36-33)17-19-9-1-3-11-21(19)29(31)30-22-12-4-2-10-20(22)18-24(32(30)40)34-37-27-15-7-8-16-28(27)38-34/h1-18,39-40H,(H,35,36)(H,37,38).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol has a molecular weight of 518.58 g/mol, XLogP of 8.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 136880938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).