2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol

C20H23N3O — CID 94757522

IUPAC2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(-c2ccc(CN3CCCC3)cc2)nc2ccccc21
InChIInChI=1S/C20H23N3O/c24-14-13-23-19-6-2-1-5-18(19)21-20(23)17-9-7-16(8-10-17)15-22-11-3-4-12-22/h1-2,5-10,24H,3-4,11-15H2
InChIKeyPPMJVTWMJXTVOI-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.29
Rot. Bonds5

About 2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol

2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol (PubChem CID 94757522) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol
PubChem CID94757522
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(-c2ccc(CN3CCCC3)cc2)nc2ccccc21
InChIInChI=1S/C20H23N3O/c24-14-13-23-19-6-2-1-5-18(19)21-20(23)17-9-7-16(8-10-17)15-22-11-3-4-12-22/h1-2,5-10,24H,3-4,11-15H2
InChIKeyPPMJVTWMJXTVOI-UHFFFAOYSA-N
XLogP3.29
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol
CID 82149303
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
CID 50959699
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111411538
2-[4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 25204434
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol (CID 94757522) is 2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol is OCCn1c(-c2ccc(CN3CCCC3)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol?
The InChIKey is PPMJVTWMJXTVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-14-13-23-19-6-2-1-5-18(19)21-20(23)17-9-7-16(8-10-17)15-22-11-3-4-12-22/h1-2,5-10,24H,3-4,11-15H2.
What are the key properties of 2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol?
2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol has a molecular weight of 321.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 94757522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).