1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide

C25H20N4O — CID 55912029

IUPAC1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C25H20N4O/c30-25(27-22-11-5-7-13-24(22)28-15-14-26-18-28)21-17-29(16-19-8-2-1-3-9-19)23-12-6-4-10-20(21)23/h1-15,17-18H,16H2,(H,27,30)
InChIKeyUYISGCUHOISHDB-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.13
Rot. Bonds5

About 1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide

1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide (PubChem CID 55912029) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide
PubChem CID55912029
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C25H20N4O/c30-25(27-22-11-5-7-13-24(22)28-15-14-26-18-28)21-17-29(16-19-8-2-1-3-9-19)23-12-6-4-10-20(21)23/h1-15,17-18H,16H2,(H,27,30)
InChIKeyUYISGCUHOISHDB-UHFFFAOYSA-N
XLogP5.13
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide
CID 81228247
2-[[1-[(4-bromophenyl)methyl]indole-3-carbonyl]amino]benzoic acid
CID 172864246
N-(2-imidazol-1-ylphenyl)-2-methoxybenzamide
CID 12911562
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
N-(2-imidazol-1-ylphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 55597500
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
5-chloro-N-(2-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 47165423
2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid
CID 172686317
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
N-(2-imidazol-1-ylphenyl)-4-methylbenzamide
CID 12911544

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide (CID 55912029) is 1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide is O=C(Nc1ccccc1-n1ccnc1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide?
The InChIKey is UYISGCUHOISHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c30-25(27-22-11-5-7-13-24(22)28-15-14-26-18-28)21-17-29(16-19-8-2-1-3-9-19)23-12-6-4-10-20(21)23/h1-15,17-18H,16H2,(H,27,30).
What are the key properties of 1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide?
1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide is sourced from PubChem (CID 55912029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).