N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C18H23N5O — CID 118786104

IUPACN-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1cc2nc(CCNC(=O)Cc3c(C)n[nH]c3C)[nH]c2cc1C
InChIInChI=1S/C18H23N5O/c1-10-7-15-16(8-11(10)2)21-17(20-15)5-6-19-18(24)9-14-12(3)22-23-13(14)4/h7-8H,5-6,9H2,1-4H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyVJMZDEYJLNFKPO-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 118786104) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID118786104
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1cc2nc(CCNC(=O)Cc3c(C)n[nH]c3C)[nH]c2cc1C
InChIInChI=1S/C18H23N5O/c1-10-7-15-16(8-11(10)2)21-17(20-15)5-6-19-18(24)9-14-12(3)22-23-13(14)4/h7-8H,5-6,9H2,1-4H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyVJMZDEYJLNFKPO-UHFFFAOYSA-N
XLogP2.42
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950837
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]acetamide
CID 126820100
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 59018410
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950848
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
CID 43431213
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336896
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 46975099
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 62336189
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 86285918
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxypropyl)acetamide
CID 43501139

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 118786104) is N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1cc2nc(CCNC(=O)Cc3c(C)n[nH]c3C)[nH]c2cc1C.
What is the InChIKey of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is VJMZDEYJLNFKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-10-7-15-16(8-11(10)2)21-17(20-15)5-6-19-18(24)9-14-12(3)22-23-13(14)4/h7-8H,5-6,9H2,1-4H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 325.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 118786104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).