3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol

C23H22N2O2 — CID 45144782

IUPAC3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C23H22N2O2/c26-16-20(27)15-25-22-9-5-4-8-21(22)24-23(25)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,20,26-27H,14-16H2
InChIKeySZSKKHGGIBJGDV-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.65
Rot. Bonds6

About 3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol

3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol (PubChem CID 45144782) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol
PubChem CID45144782
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C23H22N2O2/c26-16-20(27)15-25-22-9-5-4-8-21(22)24-23(25)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,20,26-27H,14-16H2
InChIKeySZSKKHGGIBJGDV-UHFFFAOYSA-N
XLogP3.65
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2861179
3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol
CID 45144760
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 51465176
1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987379
1-[(2,6-dichlorophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987371
1-(2-benzylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride
CID 172933757
(2R)-1-(2-benzylbenzimidazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
CID 1090499
[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone
CID 3059108
1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987368
1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 156620662
1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 156620660
3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propane-1,2-diol
CID 84571502

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol (CID 45144782) is 3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol is OCC(O)Cn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of 3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol?
The InChIKey is SZSKKHGGIBJGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-16-20(27)15-25-22-9-5-4-8-21(22)24-23(25)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,20,26-27H,14-16H2.
What are the key properties of 3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol?
3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol has a molecular weight of 358.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 45144782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).