[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone

C17H18N6O — CID 125018773

IUPAC[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESCc1cnc([C@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)[nH]1
InChIInChI=1S/C17H18N6O/c1-12-9-18-16(21-12)15-6-3-7-23(15)17(24)13-4-2-5-14(8-13)22-10-19-20-11-22/h2,4-5,8-11,15H,3,6-7H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyXRHHMPMJAPANIC-OAHLLOKOSA-N
MW322.37 g/mol
LogP2.28
Rot. Bonds3

About [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone

[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 125018773) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID125018773
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESCc1cnc([C@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)[nH]1
InChIInChI=1S/C17H18N6O/c1-12-9-18-16(21-12)15-6-3-7-23(15)17(24)13-4-2-5-14(8-13)22-10-19-20-11-22/h2,4-5,8-11,15H,3,6-7H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyXRHHMPMJAPANIC-OAHLLOKOSA-N
XLogP2.28
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 110103842
[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 97138582
1,3-benzodioxol-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124976475
[2-(4-fluorophenyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70775438
[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124949823
N,N-dimethyl-5-[1-[3-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45210061
[(2R)-2-(4-methoxyphenyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 97120424
[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124990692
[2-(4-fluorophenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72928211
[4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4-diazepan-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 138807905
[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 124946755
[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 124940543

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone (CID 125018773) is [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone is Cc1cnc([C@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)[nH]1.
What is the InChIKey of [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is XRHHMPMJAPANIC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-9-18-16(21-12)15-6-3-7-23(15)17(24)13-4-2-5-14(8-13)22-10-19-20-11-22/h2,4-5,8-11,15H,3,6-7H2,1H3,(H,18,21)/t15-/m1/s1.
What are the key properties of [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 322.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 125018773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).