[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C24H24N6O2 — CID 118355182

IUPAC[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1cccc(-c2cnc([C@@H]3CCCN3C(=O)c3cc(C)ccc3-n3nccn3)[nH]2)c1
InChIInChI=1S/C24H24N6O2/c1-16-8-9-21(30-26-10-11-27-30)19(13-16)24(31)29-12-4-7-22(29)23-25-15-20(28-23)17-5-3-6-18(14-17)32-2/h3,5-6,8-11,13-15,22H,4,7,12H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyUBKDBBIBRAMTQD-QFIPXVFZSA-N
MW428.50 g/mol
LogP3.95
Rot. Bonds5

About [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 118355182) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID118355182
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1cccc(-c2cnc([C@@H]3CCCN3C(=O)c3cc(C)ccc3-n3nccn3)[nH]2)c1
InChIInChI=1S/C24H24N6O2/c1-16-8-9-21(30-26-10-11-27-30)19(13-16)24(31)29-12-4-7-22(29)23-25-15-20(28-23)17-5-3-6-18(14-17)32-2/h3,5-6,8-11,13-15,22H,4,7,12H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyUBKDBBIBRAMTQD-QFIPXVFZSA-N
XLogP3.95
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134611816
[(2S)-2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118355210
[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97009815
[2-(4-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118128251
[(2S)-2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 118127697
methyl N-[(2S)-1-[(2S)-2-[5-[3-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]sulfonyloxyphenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 142736585
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(2R)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 97000779
3-amino-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 119890340
2-methoxy-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 146152365
[(2S)-2-[3-(2-ethylphenyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134611812
tert-butyl 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 70831233
[2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methyl-2-(3-methylphenyl)phenyl]methanone
CID 118128109

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 118355182) is [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is COc1cccc(-c2cnc([C@@H]3CCCN3C(=O)c3cc(C)ccc3-n3nccn3)[nH]2)c1.
What is the InChIKey of [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is UBKDBBIBRAMTQD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-16-8-9-21(30-26-10-11-27-30)19(13-16)24(31)29-12-4-7-22(29)23-25-15-20(28-23)17-5-3-6-18(14-17)32-2/h3,5-6,8-11,13-15,22H,4,7,12H2,1-2H3,(H,25,28)/t22-/m0/s1.
What are the key properties of [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 428.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118355182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).