N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide

C15H16N4O — CID 71706054

IUPACN-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide
SMILESCC(C)n1ccc2c(C(=O)Nc3ncc[nH]3)cccc21
InChIInChI=1S/C15H16N4O/c1-10(2)19-9-6-11-12(4-3-5-13(11)19)14(20)18-15-16-7-8-17-15/h3-10H,1-2H3,(H2,16,17,18,20)
InChIKeyVZBXAVJMQWNWTH-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.20
Rot. Bonds3

About N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide

N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide (PubChem CID 71706054) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide
PubChem CID71706054
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide
SMILESCC(C)n1ccc2c(C(=O)Nc3ncc[nH]3)cccc21
InChIInChI=1S/C15H16N4O/c1-10(2)19-9-6-11-12(4-3-5-13(11)19)14(20)18-15-16-7-8-17-15/h3-10H,1-2H3,(H2,16,17,18,20)
InChIKeyVZBXAVJMQWNWTH-UHFFFAOYSA-N
XLogP3.20
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide (CID 71706054) is N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide is CC(C)n1ccc2c(C(=O)Nc3ncc[nH]3)cccc21.
What is the InChIKey of N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide?
The InChIKey is VZBXAVJMQWNWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10(2)19-9-6-11-12(4-3-5-13(11)19)14(20)18-15-16-7-8-17-15/h3-10H,1-2H3,(H2,16,17,18,20).
What are the key properties of N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide?
N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 71706054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).