1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide

C17H20N4O2 — CID 70205646

IUPAC1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide
SMILESCc1[nH]c2ccccc2c1C(O)CC(C)n1cnc(C(N)=O)c1
InChIInChI=1S/C17H20N4O2/c1-10(21-8-14(17(18)23)19-9-21)7-15(22)16-11(2)20-13-6-4-3-5-12(13)16/h3-6,8-10,15,20,22H,7H2,1-2H3,(H2,18,23)
InChIKeyUGFOKFZKJNUGFF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.46
Rot. Bonds5

About 1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide

1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide (PubChem CID 70205646) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide
PubChem CID70205646
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide
SMILESCc1[nH]c2ccccc2c1C(O)CC(C)n1cnc(C(N)=O)c1
InChIInChI=1S/C17H20N4O2/c1-10(21-8-14(17(18)23)19-9-21)7-15(22)16-11(2)20-13-6-4-3-5-12(13)16/h3-6,8-10,15,20,22H,7H2,1-2H3,(H2,18,23)
InChIKeyUGFOKFZKJNUGFF-UHFFFAOYSA-N
XLogP2.46
TPSA96.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide (CID 70205646) is 1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide is Cc1[nH]c2ccccc2c1C(O)CC(C)n1cnc(C(N)=O)c1.
What is the InChIKey of 1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide?
The InChIKey is UGFOKFZKJNUGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10(21-8-14(17(18)23)19-9-21)7-15(22)16-11(2)20-13-6-4-3-5-12(13)16/h3-6,8-10,15,20,22H,7H2,1-2H3,(H2,18,23).
What are the key properties of 1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide?
1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 70205646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).