3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

C17H20N4O — CID 86908150

IUPAC3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCN(Cc1nccn1C)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C17H20N4O/c1-20-10-9-18-16(20)12-21(2)17(22)8-7-13-11-19-15-6-4-3-5-14(13)15/h3-6,9-11,19H,7-8,12H2,1-2H3
InChIKeyBFYNGLFAUSTZHN-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.49
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 86908150) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID86908150
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCN(Cc1nccn1C)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C17H20N4O/c1-20-10-9-18-16(20)12-21(2)17(22)8-7-13-11-19-15-6-4-3-5-14(13)15/h3-6,9-11,19H,7-8,12H2,1-2H3
InChIKeyBFYNGLFAUSTZHN-UHFFFAOYSA-N
XLogP2.49
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide
CID 42195341
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 42778811
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
(2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 154902585
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide
CID 42796907
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 30707132
3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
CID 112698086
3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 31180102
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 19454245
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 50984517

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (CID 86908150) is 3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is CN(Cc1nccn1C)C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is BFYNGLFAUSTZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-10-9-18-16(20)12-21(2)17(22)8-7-13-11-19-15-6-4-3-5-14(13)15/h3-6,9-11,19H,7-8,12H2,1-2H3.
What are the key properties of 3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 296.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 86908150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).