3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol

C21H20N2O2 — CID 45144760

IUPAC3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C21H20N2O2/c24-14-17(25)13-23-20-11-4-3-10-19(20)22-21(23)12-16-8-5-7-15-6-1-2-9-18(15)16/h1-11,17,24-25H,12-14H2
InChIKeyCOBSJGDUSFVTNM-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.13
Rot. Bonds5

About 3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol

3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol (PubChem CID 45144760) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol
PubChem CID45144760
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C21H20N2O2/c24-14-17(25)13-23-20-11-4-3-10-19(20)22-21(23)12-16-8-5-7-15-6-1-2-9-18(15)16/h1-11,17,24-25H,12-14H2
InChIKeyCOBSJGDUSFVTNM-UHFFFAOYSA-N
XLogP3.13
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol
CID 45144782
1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2861179
1-[(2-fluorophenyl)methyl]-2-(naphthalen-1-ylmethyl)benzimidazole
CID 4631818
N-ethyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033441
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
CID 1248606
[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone
CID 3059108
N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033393
(2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 92727554
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
2-[1-(2-hydroxybutyl)benzimidazol-2-yl]acetonitrile
CID 63638431
1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 12515389
1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 156620662

Frequently Asked Questions

What is the IUPAC name of 3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol (CID 45144760) is 3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol is OCC(O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21.
What is the InChIKey of 3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol?
The InChIKey is COBSJGDUSFVTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-14-17(25)13-23-20-11-4-3-10-19(20)22-21(23)12-16-8-5-7-15-6-1-2-9-18(15)16/h1-11,17,24-25H,12-14H2.
What are the key properties of 3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol?
3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol has a molecular weight of 332.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 45144760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).