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

C20H28N6O — CID 91835238

IUPAC2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)CN(C)Cc2nc3cc(C)c(C)cc3[nH]2)c1C
InChIInChI=1S/C20H28N6O/c1-7-26-15(5)20(14(4)24-26)23-19(27)11-25(6)10-18-21-16-8-12(2)13(3)9-17(16)22-18/h8-9H,7,10-11H2,1-6H3,(H,21,22)(H,23,27)
InChIKeyFDTPNKMNZIRSHK-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.08
Rot. Bonds6

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

2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 91835238) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
PubChem CID91835238
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)CN(C)Cc2nc3cc(C)c(C)cc3[nH]2)c1C
InChIInChI=1S/C20H28N6O/c1-7-26-15(5)20(14(4)24-26)23-19(27)11-25(6)10-18-21-16-8-12(2)13(3)9-17(16)22-18/h8-9H,7,10-11H2,1-6H3,(H,21,22)(H,23,27)
InChIKeyFDTPNKMNZIRSHK-UHFFFAOYSA-N
XLogP3.08
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide (CID 91835238) is 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide is CCn1nc(C)c(NC(=O)CN(C)Cc2nc3cc(C)c(C)cc3[nH]2)c1C.
What is the InChIKey of 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is FDTPNKMNZIRSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-7-26-15(5)20(14(4)24-26)23-19(27)11-25(6)10-18-21-16-8-12(2)13(3)9-17(16)22-18/h8-9H,7,10-11H2,1-6H3,(H,21,22)(H,23,27).
What are the key properties of 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 368.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 91835238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).