N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide

C24H24N6O — CID 55556168

IUPACN-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C24H24N6O/c1-17-21(18(2)30(28-17)15-5-14-25)12-13-24(31)27-19-8-10-20(11-9-19)29-16-26-22-6-3-4-7-23(22)29/h3-4,6-11,16H,5,12-13,15H2,1-2H3,(H,27,31)
InChIKeyGPGQWRPZFUETKQ-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.32
Rot. Bonds7

About N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide

N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide (PubChem CID 55556168) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide
PubChem CID55556168
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C24H24N6O/c1-17-21(18(2)30(28-17)15-5-14-25)12-13-24(31)27-19-8-10-20(11-9-19)29-16-26-22-6-3-4-7-23(22)29/h3-4,6-11,16H,5,12-13,15H2,1-2H3,(H,27,31)
InChIKeyGPGQWRPZFUETKQ-UHFFFAOYSA-N
XLogP4.32
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
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3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide
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3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 31405262
N-[4-(benzimidazol-1-yl)phenyl]butanamide
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CID 55556781
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
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3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(diethylaminomethyl)phenyl]propanamide
CID 55632467
N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide
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3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 55889413
3-[3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]-N-cyclopropylbenzamide
CID 31533891
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide (CID 55556168) is N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide is Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide?
The InChIKey is GPGQWRPZFUETKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-17-21(18(2)30(28-17)15-5-14-25)12-13-24(31)27-19-8-10-20(11-9-19)29-16-26-22-6-3-4-7-23(22)29/h3-4,6-11,16H,5,12-13,15H2,1-2H3,(H,27,31).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide?
N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide has a molecular weight of 412.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide is sourced from PubChem (CID 55556168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).