N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide

C24H26ClN5O — CID 91821175

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC(CC(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H26ClN5O/c1-14(2)12-21(24-27-19-6-4-5-7-20(19)28-24)26-22(31)13-18-15(3)29-30-23(18)16-8-10-17(25)11-9-16/h4-11,14,21H,12-13H2,1-3H3,(H,26,31)(H,27,28)(H,29,30)
InChIKeyDVXQKLKKEXAAOH-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.36
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide (PubChem CID 91821175) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
PubChem CID91821175
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC(CC(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H26ClN5O/c1-14(2)12-21(24-27-19-6-4-5-7-20(19)28-24)26-22(31)13-18-15(3)29-30-23(18)16-8-10-17(25)11-9-16/h4-11,14,21H,12-13H2,1-3H3,(H,26,31)(H,27,28)(H,29,30)
InChIKeyDVXQKLKKEXAAOH-UHFFFAOYSA-N
XLogP5.36
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 124843512
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 99871204
2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 99871348
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40939197
2-(4-aminophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]acetamide;dihydrochloride
CID 119836753
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
CID 119836758
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 43889769
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide
CID 91638824
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55430541
4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride
CID 120594898
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 2089727

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide (CID 91821175) is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide is Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC(CC(C)C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The InChIKey is DVXQKLKKEXAAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-14(2)12-21(24-27-19-6-4-5-7-20(19)28-24)26-22(31)13-18-15(3)29-30-23(18)16-8-10-17(25)11-9-16/h4-11,14,21H,12-13H2,1-3H3,(H,26,31)(H,27,28)(H,29,30).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide has a molecular weight of 435.96 g/mol, XLogP of 5.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 91821175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).