(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide

C18H22FN5O — CID 95621264

IUPAC(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
SMILESCc1cc(C)n([C@H](C)C(=O)NCCc2nc3c(F)cccc3n2C)n1
InChIInChI=1S/C18H22FN5O/c1-11-10-12(2)24(22-11)13(3)18(25)20-9-8-16-21-17-14(19)6-5-7-15(17)23(16)4/h5-7,10,13H,8-9H2,1-4H3,(H,20,25)/t13-/m1/s1
InChIKeyVKJTXGRDMGDBBV-CYBMUJFWSA-N
MW343.41 g/mol
LogP2.45
Rot. Bonds5

About (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide

(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 95621264) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID95621264
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
SMILESCc1cc(C)n([C@H](C)C(=O)NCCc2nc3c(F)cccc3n2C)n1
InChIInChI=1S/C18H22FN5O/c1-11-10-12(2)24(22-11)13(3)18(25)20-9-8-16-21-17-14(19)6-5-7-15(17)23(16)4/h5-7,10,13H,8-9H2,1-4H3,(H,20,25)/t13-/m1/s1
InChIKeyVKJTXGRDMGDBBV-CYBMUJFWSA-N
XLogP2.45
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide 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-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065547
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 95630274
2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 86935839
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976059
(E)-3-(2,4-dimethylphenyl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 86935842
4-[3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 119184720
2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 120821778
N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 46978356
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119883596

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide (CID 95621264) is (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide is Cc1cc(C)n([C@H](C)C(=O)NCCc2nc3c(F)cccc3n2C)n1.
What is the InChIKey of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is VKJTXGRDMGDBBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-11-10-12(2)24(22-11)13(3)18(25)20-9-8-16-21-17-14(19)6-5-7-15(17)23(16)4/h5-7,10,13H,8-9H2,1-4H3,(H,20,25)/t13-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide?
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 343.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 95621264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).