(3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol

C26H27N3O2 — CID 170535571

IUPAC(3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol
SMILESCOc1cc(-c2nc3c(C)c(-c4ccccc4)ccc3[nH]2)ccc1CN1CC[C@@H](O)C1
InChIInChI=1S/C26H27N3O2/c1-17-22(18-6-4-3-5-7-18)10-11-23-25(17)28-26(27-23)19-8-9-20(24(14-19)31-2)15-29-13-12-21(30)16-29/h3-11,14,21,30H,12-13,15-16H2,1-2H3,(H,27,28)/t21-/m1/s1
InChIKeyOESJJRCBRGCYTE-OAQYLSRUSA-N
MW413.52 g/mol
LogP4.78
Rot. Bonds5

About (3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol

(3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 170535571) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID170535571
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name(3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol
SMILESCOc1cc(-c2nc3c(C)c(-c4ccccc4)ccc3[nH]2)ccc1CN1CC[C@@H](O)C1
InChIInChI=1S/C26H27N3O2/c1-17-22(18-6-4-3-5-7-18)10-11-23-25(17)28-26(27-23)19-8-9-20(24(14-19)31-2)15-29-13-12-21(30)16-29/h3-11,14,21,30H,12-13,15-16H2,1-2H3,(H,27,28)/t21-/m1/s1
InChIKeyOESJJRCBRGCYTE-OAQYLSRUSA-N
XLogP4.78
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
(3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol
CID 175938025
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75501255
2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168554818
(3R)-1-[[4-[(Z)-1-fluoro-2-[2-methyl-3-(2-methylphenyl)phenyl]ethenyl]-2-methoxyphenyl]methyl]pyrrolidin-3-ol
CID 175877819
(3S,4R)-3,4-dihydroxy-1-[(2-methoxy-4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 166314997
(3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol
CID 70742319
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
6-[4-[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 170172759
(3S)-1-[[6-fluoro-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methyl]pyrrolidin-3-ol
CID 146475555
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol (CID 170535571) is (3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol is COc1cc(-c2nc3c(C)c(-c4ccccc4)ccc3[nH]2)ccc1CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is OESJJRCBRGCYTE-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-17-22(18-6-4-3-5-7-18)10-11-23-25(17)28-26(27-23)19-8-9-20(24(14-19)31-2)15-29-13-12-21(30)16-29/h3-11,14,21,30H,12-13,15-16H2,1-2H3,(H,27,28)/t21-/m1/s1.
What are the key properties of (3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol?
(3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 413.52 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 170535571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).