2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one

C19H21F3N4O2 — CID 139006022

IUPAC2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one
SMILESCC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCC4(CNC(=O)C4)C3)ccc21
InChIInChI=1S/C19H21F3N4O2/c1-11(2)26-14-4-3-12(7-13(14)24-17(26)19(20,21)22)16(28)25-6-5-18(10-25)8-15(27)23-9-18/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,23,27)
InChIKeyYNAVJABVDYFAKY-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.99
Rot. Bonds2

About 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one

2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one (PubChem CID 139006022) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one
PubChem CID139006022
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one
SMILESCC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCC4(CNC(=O)C4)C3)ccc21
InChIInChI=1S/C19H21F3N4O2/c1-11(2)26-14-4-3-12(7-13(14)24-17(26)19(20,21)22)16(28)25-6-5-18(10-25)8-15(27)23-9-18/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,23,27)
InChIKeyYNAVJABVDYFAKY-UHFFFAOYSA-N
XLogP2.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one 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

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone;dihydrochloride
CID 120659671
[(3S)-3-hydroxy-2,2-dimethylpyrrolidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
CID 124726708
[4-(ethylaminomethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
CID 119644305
[3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
CID 119592842
(2S)-1-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366163
5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one
CID 138999475
3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82791370
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 58646263
N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119424364
2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 128714057

Frequently Asked Questions

What is the IUPAC name of 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one?
The IUPAC name of 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one (CID 139006022) is 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one.
What is the SMILES notation for 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one?
The canonical SMILES for 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one is CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCC4(CNC(=O)C4)C3)ccc21.
What is the InChIKey of 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one?
The InChIKey is YNAVJABVDYFAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-11(2)26-14-4-3-12(7-13(14)24-17(26)19(20,21)22)16(28)25-6-5-18(10-25)8-15(27)23-9-18/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,23,27).
What are the key properties of 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one?
2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one has a molecular weight of 394.40 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one is sourced from PubChem (CID 139006022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).