N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide

C17H20N4O — CID 139640481

IUPACN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCc1[nH]cnc1CN(C)C(=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C17H20N4O/c1-12-15(19-11-18-12)10-21(3)17(22)8-13-9-20(2)16-7-5-4-6-14(13)16/h4-7,9,11H,8,10H2,1-3H3,(H,18,19)
InChIKeyMJECSMBWVWXVLX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.41
Rot. Bonds4

About N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 139640481) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID139640481
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCc1[nH]cnc1CN(C)C(=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C17H20N4O/c1-12-15(19-11-18-12)10-21(3)17(22)8-13-9-20(2)16-7-5-4-6-14(13)16/h4-7,9,11H,8,10H2,1-3H3,(H,18,19)
InChIKeyMJECSMBWVWXVLX-UHFFFAOYSA-N
XLogP2.41
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide (CID 139640481) is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide is Cc1[nH]cnc1CN(C)C(=O)Cc1cn(C)c2ccccc12.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is MJECSMBWVWXVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-15(19-11-18-12)10-21(3)17(22)8-13-9-20(2)16-7-5-4-6-14(13)16/h4-7,9,11H,8,10H2,1-3H3,(H,18,19).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide?
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 139640481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).