1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C20H18F3N5O — CID 147594231

IUPAC1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)17-10-24-12(9-25-17)7-11-8-13-5-6-16(11)28(13)19(29)18-26-14-3-1-2-4-15(14)27-18/h1-4,9-11,13,16H,5-8H2,(H,26,27)
InChIKeyFYWGQHXAINNLJI-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.61
Rot. Bonds3

About 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 147594231) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID147594231
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)17-10-24-12(9-25-17)7-11-8-13-5-6-16(11)28(13)19(29)18-26-14-3-1-2-4-15(14)27-18/h1-4,9-11,13,16H,5-8H2,(H,26,27)
InChIKeyFYWGQHXAINNLJI-UHFFFAOYSA-N
XLogP3.61
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-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-fluoro-2-pyridin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 148800260
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
(3-ethoxyisoquinolin-4-yl)-[(1S,2R,4R)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411875
1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 46909812
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
1H-benzimidazol-2-yl-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 139721550
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
6-[[7-[3-methyl-2-(triazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile
CID 146919680
tert-butyl 5-(1H-benzimidazole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 76741279
1H-benzimidazol-2-yl(piperidin-4-yl)methanone
CID 18333277
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 86694189

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 147594231) is 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.
What is the InChIKey of 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is FYWGQHXAINNLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c21-20(22,23)17-10-24-12(9-25-17)7-11-8-13-5-6-16(11)28(13)19(29)18-26-14-3-1-2-4-15(14)27-18/h1-4,9-11,13,16H,5-8H2,(H,26,27).
What are the key properties of 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 401.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 147594231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).