(4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone

C20H19N5O — CID 118689730

IUPAC(4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C(N1C[C@@H]2C[C@H]1CN2c1ccccn1)n1cnc(-c2ccccc2)c1
InChIInChI=1S/C20H19N5O/c26-20(23-13-18(22-14-23)15-6-2-1-3-7-15)25-12-16-10-17(25)11-24(16)19-8-4-5-9-21-19/h1-9,13-14,16-17H,10-12H2/t16-,17-/m0/s1
InChIKeyQOQROUZPIVDBHX-IRXDYDNUSA-N
MW345.41 g/mol
LogP2.88
Rot. Bonds2

About (4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone

(4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 118689730) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is (4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name(4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID118689730
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name(4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C(N1C[C@@H]2C[C@H]1CN2c1ccccn1)n1cnc(-c2ccccc2)c1
InChIInChI=1S/C20H19N5O/c26-20(23-13-18(22-14-23)15-6-2-1-3-7-15)25-12-16-10-17(25)11-24(16)19-8-4-5-9-21-19/h1-9,13-14,16-17H,10-12H2/t16-,17-/m0/s1
InChIKeyQOQROUZPIVDBHX-IRXDYDNUSA-N
XLogP2.88
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-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

Related Compounds

[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
CID 71009966
1-(2-hydroxyphenyl)-3-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-one
CID 129317904
N-methyl-4-phenylimidazole-1-carboxamide
CID 66713962
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone
CID 90883189
4-(4-methylphenyl)imidazole-1-carboxylic acid
CID 174417418
3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25253180
tert-butyl 4-phenylimidazole-1-carboxylate
CID 141103955
2-methylbutan-2-yl (1S,4S)-5-(5-phenylmethoxy-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 139298930
N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide
CID 156708451
(4-aminophenyl) 4-phenylimidazole-1-carboxylate
CID 145005774
5-(aminomethyl)-1-pyridin-2-ylpyrrolidin-3-ol
CID 130855888
3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 166251442

Frequently Asked Questions

What is the IUPAC name of (4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of (4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone (CID 118689730) is (4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for (4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for (4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone is O=C(N1C[C@@H]2C[C@H]1CN2c1ccccn1)n1cnc(-c2ccccc2)c1.
What is the InChIKey of (4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is QOQROUZPIVDBHX-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(23-13-18(22-14-23)15-6-2-1-3-7-15)25-12-16-10-17(25)11-24(16)19-8-4-5-9-21-19/h1-9,13-14,16-17H,10-12H2/t16-,17-/m0/s1.
What are the key properties of (4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
(4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 345.41 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylimidazol-1-yl)-[(1S,4S)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 118689730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).