[5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone

C23H24N6O2 — CID 118128035

IUPAC[5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)cccc3[nH]2)c1
InChIInChI=1S/C23H24N6O2/c1-15-6-4-7-18-20(15)27-22(26-18)23(2)10-5-13-28(23)21(30)17-14-16(31-3)8-9-19(17)29-24-11-12-25-29/h4,6-9,11-12,14H,5,10,13H2,1-3H3,(H,26,27)/t23-/m0/s1
InChIKeyRKLZNOXRSXQGAQ-QHCPKHFHSA-N
MW416.49 g/mol
LogP3.61
Rot. Bonds4

About [5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone

[5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 118128035) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is [5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID118128035
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name[5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)cccc3[nH]2)c1
InChIInChI=1S/C23H24N6O2/c1-15-6-4-7-18-20(15)27-22(26-18)23(2)10-5-13-28(23)21(30)17-14-16(31-3)8-9-19(17)29-24-11-12-25-29/h4,6-9,11-12,14H,5,10,13H2,1-3H3,(H,26,27)/t23-/m0/s1
InChIKeyRKLZNOXRSXQGAQ-QHCPKHFHSA-N
XLogP3.61
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone (CID 118128035) is [5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone is COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)cccc3[nH]2)c1.
What is the InChIKey of [5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RKLZNOXRSXQGAQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-6-4-7-18-20(15)27-22(26-18)23(2)10-5-13-28(23)21(30)17-14-16(31-3)8-9-19(17)29-24-11-12-25-29/h4,6-9,11-12,14H,5,10,13H2,1-3H3,(H,26,27)/t23-/m0/s1.
What are the key properties of [5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?
[5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 416.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118128035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).