7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole

C16H21N3O — CID 114721013

IUPAC7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
SMILESCOCCC(C)n1cncc1-c1cccc2c1NCC2
InChIInChI=1S/C16H21N3O/c1-12(7-9-20-2)19-11-17-10-15(19)14-5-3-4-13-6-8-18-16(13)14/h3-5,10-12,18H,6-9H2,1-2H3
InChIKeyXPZKRMSCIFFAOW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds5

About 7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole

7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole (PubChem CID 114721013) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
PubChem CID114721013
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
SMILESCOCCC(C)n1cncc1-c1cccc2c1NCC2
InChIInChI=1S/C16H21N3O/c1-12(7-9-20-2)19-11-17-10-15(19)14-5-3-4-13-6-8-18-16(13)14/h3-5,10-12,18H,6-9H2,1-2H3
InChIKeyXPZKRMSCIFFAOW-UHFFFAOYSA-N
XLogP3.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole (CID 114721013) is 7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole is COCCC(C)n1cncc1-c1cccc2c1NCC2.
What is the InChIKey of 7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The InChIKey is XPZKRMSCIFFAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(7-9-20-2)19-11-17-10-15(19)14-5-3-4-13-6-8-18-16(13)14/h3-5,10-12,18H,6-9H2,1-2H3.
What are the key properties of 7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole?
7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole has a molecular weight of 271.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114721013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).