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

C25H25N3O — CID 175938025

IUPAC(3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol
SMILESCc1nc2ccc(-c3ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc3)cc2[nH]1
InChIInChI=1S/C25H25N3O/c1-17-26-24-11-10-20(14-25(24)27-17)18-6-8-19(9-7-18)23-5-3-2-4-21(23)15-28-13-12-22(29)16-28/h2-11,14,22,29H,12-13,15-16H2,1H3,(H,26,27)/t22-/m1/s1
InChIKeyNXMGHCAVMDIOCH-JOCHJYFZSA-N
MW383.50 g/mol
LogP4.77
Rot. Bonds4

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

(3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol (PubChem CID 175938025) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is (3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol
PubChem CID175938025
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name(3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol
SMILESCc1nc2ccc(-c3ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc3)cc2[nH]1
InChIInChI=1S/C25H25N3O/c1-17-26-24-11-10-20(14-25(24)27-17)18-6-8-19(9-7-18)23-5-3-2-4-21(23)15-28-13-12-22(29)16-28/h2-11,14,22,29H,12-13,15-16H2,1H3,(H,26,27)/t22-/m1/s1
InChIKeyNXMGHCAVMDIOCH-JOCHJYFZSA-N
XLogP4.77
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-[4-[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 170172759
1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine
CID 175937994
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
(3R)-1-[[2-methoxy-4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-3-ol
CID 170535571
1-[(2-phenylphenyl)methyl]azetidin-3-ol
CID 141021378
2-methyl-6-naphthalen-1-yl-1H-benzimidazole
CID 46951477
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 131933679
3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one
CID 78963602
(3S)-1-[[6-fluoro-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methyl]pyrrolidin-3-ol
CID 146475555
6-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 135313810
4-(2-chlorophenyl)-2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
CID 135966311

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol (CID 175938025) is (3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol is Cc1nc2ccc(-c3ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc3)cc2[nH]1.
What is the InChIKey of (3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is NXMGHCAVMDIOCH-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25N3O/c1-17-26-24-11-10-20(14-25(24)27-17)18-6-8-19(9-7-18)23-5-3-2-4-21(23)15-28-13-12-22(29)16-28/h2-11,14,22,29H,12-13,15-16H2,1H3,(H,26,27)/t22-/m1/s1.
What are the key properties of (3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol?
(3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 383.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 175938025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).