N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

C18H23N5O — CID 56870014

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCCn1nc(C)c(CNC(=O)Cc2ccc3nc(C)[nH]c3c2)c1C
InChIInChI=1S/C18H23N5O/c1-5-23-12(3)15(11(2)22-23)10-19-18(24)9-14-6-7-16-17(8-14)21-13(4)20-16/h6-8H,5,9-10H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyBYFHUPPPKASPDA-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.56
Rot. Bonds5

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 56870014) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID56870014
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCCn1nc(C)c(CNC(=O)Cc2ccc3nc(C)[nH]c3c2)c1C
InChIInChI=1S/C18H23N5O/c1-5-23-12(3)15(11(2)22-23)10-19-18(24)9-14-6-7-16-17(8-14)21-13(4)20-16/h6-8H,5,9-10H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyBYFHUPPPKASPDA-UHFFFAOYSA-N
XLogP2.56
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide 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

2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 163312396
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-ethylphenyl)urea
CID 20964106
2-(2-methyl-3H-benzimidazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772690

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 56870014) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is CCn1nc(C)c(CNC(=O)Cc2ccc3nc(C)[nH]c3c2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is BYFHUPPPKASPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-5-23-12(3)15(11(2)22-23)10-19-18(24)9-14-6-7-16-17(8-14)21-13(4)20-16/h6-8H,5,9-10H2,1-4H3,(H,19,24)(H,20,21).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 325.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 56870014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).