2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide

C16H20N4O — CID 80572556

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
SMILESCn1ccnc1CCNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C16H20N4O/c1-20-9-8-17-15(20)6-7-18-16(21)10-12-11-19-14-5-3-2-4-13(12)14/h2-5,8-9,12,19H,6-7,10-11H2,1H3,(H,18,21)
InChIKeyGFBDARYXCDKTHK-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.68
Rot. Bonds5

About 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide (PubChem CID 80572556) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
PubChem CID80572556
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
SMILESCn1ccnc1CCNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C16H20N4O/c1-20-9-8-17-15(20)6-7-18-16(21)10-12-11-19-14-5-3-2-4-13(12)14/h2-5,8-9,12,19H,6-7,10-11H2,1H3,(H,18,21)
InChIKeyGFBDARYXCDKTHK-UHFFFAOYSA-N
XLogP1.68
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80572684
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 106390914
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 80572253
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
CID 80573792
2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 80573485
2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
CID 115567924
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262436
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
N-[2-(1-methylimidazol-2-yl)ethyl]-2-morpholin-2-ylacetamide
CID 66427665

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide (CID 80572556) is 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide is Cn1ccnc1CCNC(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The InChIKey is GFBDARYXCDKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-9-8-17-15(20)6-7-18-16(21)10-12-11-19-14-5-3-2-4-13(12)14/h2-5,8-9,12,19H,6-7,10-11H2,1H3,(H,18,21).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 80572556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).