5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide

C19H24N4O2 — CID 71845389

IUPAC5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]c(C)c(C(=O)NCCCCn3ccnc3C)c2c1
InChIInChI=1S/C19H24N4O2/c1-13-18(16-12-15(25-3)6-7-17(16)22-13)19(24)21-8-4-5-10-23-11-9-20-14(23)2/h6-7,9,11-12,22H,4-5,8,10H2,1-3H3,(H,21,24)
InChIKeyBZEBJDIJFQOAEH-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.20
Rot. Bonds7

About 5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide

5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide (PubChem CID 71845389) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide
PubChem CID71845389
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]c(C)c(C(=O)NCCCCn3ccnc3C)c2c1
InChIInChI=1S/C19H24N4O2/c1-13-18(16-12-15(25-3)6-7-17(16)22-13)19(24)21-8-4-5-10-23-11-9-20-14(23)2/h6-7,9,11-12,22H,4-5,8,10H2,1-3H3,(H,21,24)
InChIKeyBZEBJDIJFQOAEH-UHFFFAOYSA-N
XLogP3.20
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide (CID 71845389) is 5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide is COc1ccc2[nH]c(C)c(C(=O)NCCCCn3ccnc3C)c2c1.
What is the InChIKey of 5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide?
The InChIKey is BZEBJDIJFQOAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-18(16-12-15(25-3)6-7-17(16)22-13)19(24)21-8-4-5-10-23-11-9-20-14(23)2/h6-7,9,11-12,22H,4-5,8,10H2,1-3H3,(H,21,24).
What are the key properties of 5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide?
5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 71845389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).