(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide

C19H25N5O — CID 95630274

IUPAC(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)NCCCc2nc3ccccc3n2C)n1
InChIInChI=1S/C19H25N5O/c1-13-12-14(2)24(22-13)15(3)19(25)20-11-7-10-18-21-16-8-5-6-9-17(16)23(18)4/h5-6,8-9,12,15H,7,10-11H2,1-4H3,(H,20,25)/t15-/m0/s1
InChIKeySSJWFDHXTVVWAT-HNNXBMFYSA-N
MW339.44 g/mol
LogP2.70
Rot. Bonds6

About (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide (PubChem CID 95630274) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
PubChem CID95630274
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)NCCCc2nc3ccccc3n2C)n1
InChIInChI=1S/C19H25N5O/c1-13-12-14(2)24(22-13)15(3)19(25)20-11-7-10-18-21-16-8-5-6-9-17(16)23(18)4/h5-6,8-9,12,15H,7,10-11H2,1-4H3,(H,20,25)/t15-/m0/s1
InChIKeySSJWFDHXTVVWAT-HNNXBMFYSA-N
XLogP2.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 95621264
1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50970727
2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 118771504
3-amino-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119889914
(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
CID 124756311
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
(2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 124864581
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide (CID 95630274) is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide is Cc1cc(C)n([C@@H](C)C(=O)NCCCc2nc3ccccc3n2C)n1.
What is the InChIKey of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide?
The InChIKey is SSJWFDHXTVVWAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-12-14(2)24(22-13)15(3)19(25)20-11-7-10-18-21-16-8-5-6-9-17(16)23(18)4/h5-6,8-9,12,15H,7,10-11H2,1-4H3,(H,20,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide?
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide is sourced from PubChem (CID 95630274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).