3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide

C22H22N4O2 — CID 50972954

IUPAC3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(-c2c(-c3ccccc3)ncn2CCO)c2ccccc21
InChIInChI=1S/C22H22N4O2/c23-20(28)10-11-25-14-18(17-8-4-5-9-19(17)25)22-21(16-6-2-1-3-7-16)24-15-26(22)12-13-27/h1-9,14-15,27H,10-13H2,(H2,23,28)
InChIKeyMNXJFFLTRUVIKT-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.04
Rot. Bonds7

About 3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide

3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide (PubChem CID 50972954) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide
PubChem CID50972954
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(-c2c(-c3ccccc3)ncn2CCO)c2ccccc21
InChIInChI=1S/C22H22N4O2/c23-20(28)10-11-25-14-18(17-8-4-5-9-19(17)25)22-21(16-6-2-1-3-7-16)24-15-26(22)12-13-27/h1-9,14-15,27H,10-13H2,(H2,23,28)
InChIKeyMNXJFFLTRUVIKT-UHFFFAOYSA-N
XLogP3.04
TPSA86.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide
CID 56868549
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide
CID 20976467
3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
3-(3-phenylindol-1-yl)propan-1-amine
CID 15134122
3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid
CID 70783823
3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole
CID 102365164
N-cyclopropyl-3-(4,5-diphenylimidazol-1-yl)propanamide
CID 110436229
3-(4-oxoquinolin-1-yl)propanamide
CID 53264488
3-(4-methyl-3-phenylpyrazol-1-yl)propanamide
CID 154215861
2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid
CID 70737056

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide?
The IUPAC name of 3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide (CID 50972954) is 3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide?
The canonical SMILES for 3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide is NC(=O)CCn1cc(-c2c(-c3ccccc3)ncn2CCO)c2ccccc21.
What is the InChIKey of 3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide?
The InChIKey is MNXJFFLTRUVIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-20(28)10-11-25-14-18(17-8-4-5-9-19(17)25)22-21(16-6-2-1-3-7-16)24-15-26(22)12-13-27/h1-9,14-15,27H,10-13H2,(H2,23,28).
What are the key properties of 3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide?
3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide has a molecular weight of 374.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide is sourced from PubChem (CID 50972954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).