N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide

C22H22N4O — CID 29135832

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide
SMILESO=C(CCn1c(-c2ccccc2)cc2ccccc21)NCCc1cnc[nH]1
InChIInChI=1S/C22H22N4O/c27-22(24-12-10-19-15-23-16-25-19)11-13-26-20-9-5-4-8-18(20)14-21(26)17-6-2-1-3-7-17/h1-9,14-16H,10-13H2,(H,23,25)(H,24,27)
InChIKeyDOTHTWKHMHRVFV-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.78
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide

N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide (PubChem CID 29135832) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide
PubChem CID29135832
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide
SMILESO=C(CCn1c(-c2ccccc2)cc2ccccc21)NCCc1cnc[nH]1
InChIInChI=1S/C22H22N4O/c27-22(24-12-10-19-15-23-16-25-19)11-13-26-20-9-5-4-8-18(20)14-21(26)17-6-2-1-3-7-17/h1-9,14-16H,10-13H2,(H,23,25)(H,24,27)
InChIKeyDOTHTWKHMHRVFV-UHFFFAOYSA-N
XLogP3.78
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide 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

N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide
CID 46952588
1-phenyl-3-(2-phenylindol-1-yl)propan-1-one
CID 151018616
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 110205924
3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 112532409
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylindol-1-yl)acetamide
CID 56578545
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19590027
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
CID 65231264
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide (CID 29135832) is N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide is O=C(CCn1c(-c2ccccc2)cc2ccccc21)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide?
The InChIKey is DOTHTWKHMHRVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22(24-12-10-19-15-23-16-25-19)11-13-26-20-9-5-4-8-18(20)14-21(26)17-6-2-1-3-7-17/h1-9,14-16H,10-13H2,(H,23,25)(H,24,27).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide?
N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide has a molecular weight of 358.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide is sourced from PubChem (CID 29135832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).