3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide

C23H25N5O — CID 42114788

IUPAC3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C23H25N5O/c1-16-19(17(2)28(26-16)18-9-5-4-6-10-18)15-27(3)23(29)14-13-22-24-20-11-7-8-12-21(20)25-22/h4-12H,13-15H2,1-3H3,(H,24,25)
InChIKeyDYIZAGLUKBAKRS-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.96
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide

3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide (PubChem CID 42114788) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide
PubChem CID42114788
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C23H25N5O/c1-16-19(17(2)28(26-16)18-9-5-4-6-10-18)15-27(3)23(29)14-13-22-24-20-11-7-8-12-21(20)25-22/h4-12H,13-15H2,1-3H3,(H,24,25)
InChIKeyDYIZAGLUKBAKRS-UHFFFAOYSA-N
XLogP3.96
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide 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-[3-(1H-benzimidazol-2-yl)propanoyl-methylamino]propanoic acid
CID 60988746
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39442300
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide
CID 47023769
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9140605
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
CID 40709624
3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
CID 55898321
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 40797002
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 40797001
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 9268418
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 27854104
3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 37207871

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide (CID 42114788) is 3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide?
The InChIKey is DYIZAGLUKBAKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-19(17(2)28(26-16)18-9-5-4-6-10-18)15-27(3)23(29)14-13-22-24-20-11-7-8-12-21(20)25-22/h4-12H,13-15H2,1-3H3,(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide?
3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide has a molecular weight of 387.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 42114788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).