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

C23H21ClN6O — CID 134611816

IUPAC[(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H]2c2ncc(-c3cccc(Cl)c3)[nH]2)c1
InChIInChI=1S/C23H21ClN6O/c1-15-7-8-20(30-26-9-10-27-30)18(12-15)23(31)29-11-3-6-21(29)22-25-14-19(28-22)16-4-2-5-17(24)13-16/h2,4-5,7-10,12-14,21H,3,6,11H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyDMIYQCSNDNJOST-NRFANRHFSA-N
MW432.92 g/mol
LogP4.60
Rot. Bonds4

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

[(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 134611816) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is [(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID134611816
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC Name[(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H]2c2ncc(-c3cccc(Cl)c3)[nH]2)c1
InChIInChI=1S/C23H21ClN6O/c1-15-7-8-20(30-26-9-10-27-30)18(12-15)23(31)29-11-3-6-21(29)22-25-14-19(28-22)16-4-2-5-17(24)13-16/h2,4-5,7-10,12-14,21H,3,6,11H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyDMIYQCSNDNJOST-NRFANRHFSA-N
XLogP4.60
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118355182
[2-(4-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118128251
3-amino-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 119890340
[(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
[(2S)-2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118355210
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096469
[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118355176
tert-butyl 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 70831233
(2S)-2-[5-[3-[3-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 68608639
(2S)-2,3-dimethyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one;sulfane
CID 158239742
[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97009815
[5-methyl-2-(triazol-2-yl)phenyl]-[2-(1-phenyltriazol-4-yl)pyrrolidin-1-yl]methanone
CID 118355390

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 134611816) is [(2S)-2-[5-(3-chlorophenyl)-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-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H]2c2ncc(-c3cccc(Cl)c3)[nH]2)c1.
What is the InChIKey of [(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is DMIYQCSNDNJOST-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21ClN6O/c1-15-7-8-20(30-26-9-10-27-30)18(12-15)23(31)29-11-3-6-21(29)22-25-14-19(28-22)16-4-2-5-17(24)13-16/h2,4-5,7-10,12-14,21H,3,6,11H2,1H3,(H,25,28)/t21-/m0/s1.
What are the key properties of [(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 432.92 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 134611816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).