N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide

C22H22N4O2 — CID 70709392

IUPACN-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NC(Cn1ccnc1)c1ccccc1)n2C
InChIInChI=1S/C22H22N4O2/c1-25-20-9-8-18(28-2)12-17(20)13-21(25)22(27)24-19(14-26-11-10-23-15-26)16-6-4-3-5-7-16/h3-13,15,19H,14H2,1-2H3,(H,24,27)
InChIKeyGZLOHJDOCVFGGT-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.55
Rot. Bonds6

About N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide

N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide (PubChem CID 70709392) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide
PubChem CID70709392
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NC(Cn1ccnc1)c1ccccc1)n2C
InChIInChI=1S/C22H22N4O2/c1-25-20-9-8-18(28-2)12-17(20)13-21(25)22(27)24-19(14-26-11-10-23-15-26)16-6-4-3-5-7-16/h3-13,15,19H,14H2,1-2H3,(H,24,27)
InChIKeyGZLOHJDOCVFGGT-UHFFFAOYSA-N
XLogP3.55
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-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-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide (CID 70709392) is N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)NC(Cn1ccnc1)c1ccccc1)n2C.
What is the InChIKey of N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide?
The InChIKey is GZLOHJDOCVFGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-25-20-9-8-18(28-2)12-17(20)13-21(25)22(27)24-19(14-26-11-10-23-15-26)16-6-4-3-5-7-16/h3-13,15,19H,14H2,1-2H3,(H,24,27).
What are the key properties of N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide?
N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-1-phenylethyl)-5-methoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 70709392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).