3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol

C19H21N3O — CID 176913337

IUPAC3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol
SMILESOC1(Cn2cnc3ccccc32)CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21N3O/c23-19(14-22-15-20-17-8-4-5-9-18(17)22)10-11-21(13-19)12-16-6-2-1-3-7-16/h1-9,15,23H,10-14H2
InChIKeyFTGFAASTMWQNBF-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.67
Rot. Bonds4

About 3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol

3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol (PubChem CID 176913337) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol
PubChem CID176913337
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol
SMILESOC1(Cn2cnc3ccccc32)CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21N3O/c23-19(14-22-15-20-17-8-4-5-9-18(17)22)10-11-21(13-19)12-16-6-2-1-3-7-16/h1-9,15,23H,10-14H2
InChIKeyFTGFAASTMWQNBF-UHFFFAOYSA-N
XLogP2.67
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol
CID 110223962
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
(3S)-3-(hydroxymethyl)-1-[[4-(2-phenylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 99957922
1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole
CID 65002237
3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 122420674
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole
CID 167905680
1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole
CID 57328320
1-[[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]phenyl]methyl]benzimidazole
CID 25031243

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol?
The IUPAC name of 3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol (CID 176913337) is 3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol.
What is the SMILES notation for 3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol?
The canonical SMILES for 3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol is OC1(Cn2cnc3ccccc32)CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol?
The InChIKey is FTGFAASTMWQNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19(14-22-15-20-17-8-4-5-9-18(17)22)10-11-21(13-19)12-16-6-2-1-3-7-16/h1-9,15,23H,10-14H2.
What are the key properties of 3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol?
3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol has a molecular weight of 307.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol is sourced from PubChem (CID 176913337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).