(3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol

C20H23N3O2 — CID 100736655

IUPAC(3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol
SMILESCOc1cccc([C@@H]2C[C@H](O)CN2Cc2nc3ccccc3n2C)c1
InChIInChI=1S/C20H23N3O2/c1-22-18-9-4-3-8-17(18)21-20(22)13-23-12-15(24)11-19(23)14-6-5-7-16(10-14)25-2/h3-10,15,19,24H,11-13H2,1-2H3/t15-,19-/m0/s1
InChIKeyGZXAINUKKRGPEY-KXBFYZLASA-N
MW337.42 g/mol
LogP2.89
Rot. Bonds4

About (3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol

(3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 100736655) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol
PubChem CID100736655
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol
SMILESCOc1cccc([C@@H]2C[C@H](O)CN2Cc2nc3ccccc3n2C)c1
InChIInChI=1S/C20H23N3O2/c1-22-18-9-4-3-8-17(18)21-20(22)13-23-12-15(24)11-19(23)14-6-5-7-16(10-14)25-2/h3-10,15,19,24H,11-13H2,1-2H3/t15-,19-/m0/s1
InChIKeyGZXAINUKKRGPEY-KXBFYZLASA-N
XLogP2.89
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 128964281
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 26744188
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 128964270
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
(3S,5S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481131
(3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 100736568
1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 167793030
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736947
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481272
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 129350021
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
(3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737404

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol (CID 100736655) is (3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol is COc1cccc([C@@H]2C[C@H](O)CN2Cc2nc3ccccc3n2C)c1.
What is the InChIKey of (3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is GZXAINUKKRGPEY-KXBFYZLASA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22-18-9-4-3-8-17(18)21-20(22)13-23-12-15(24)11-19(23)14-6-5-7-16(10-14)25-2/h3-10,15,19,24H,11-13H2,1-2H3/t15-,19-/m0/s1.
What are the key properties of (3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol?
(3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 337.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 100736655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).