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

C16H21N3O — CID 114720858

IUPAC7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
SMILESCCC(COC)n1cncc1-c1cccc2c1NCC2
InChIInChI=1S/C16H21N3O/c1-3-13(10-20-2)19-11-17-9-15(19)14-6-4-5-12-7-8-18-16(12)14/h4-6,9,11,13,18H,3,7-8,10H2,1-2H3
InChIKeyGXLHIVKOOPBSLD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds5

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

7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole (PubChem CID 114720858) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
PubChem CID114720858
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
SMILESCCC(COC)n1cncc1-c1cccc2c1NCC2
InChIInChI=1S/C16H21N3O/c1-3-13(10-20-2)19-11-17-9-15(19)14-6-4-5-12-7-8-18-16(12)14/h4-6,9,11,13,18H,3,7-8,10H2,1-2H3
InChIKeyGXLHIVKOOPBSLD-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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Related Compounds

7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114721013
methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate
CID 114718971
8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 114716664
7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114717398
7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114716253
8-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722090
7-(3-cyclobutylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114720083
3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide
CID 114721852
8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114717316
8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722364
2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106377546
3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-methylpropanamide
CID 114719194

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole (CID 114720858) is 7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole is CCC(COC)n1cncc1-c1cccc2c1NCC2.
What is the InChIKey of 7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The InChIKey is GXLHIVKOOPBSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-13(10-20-2)19-11-17-9-15(19)14-6-4-5-12-7-8-18-16(12)14/h4-6,9,11,13,18H,3,7-8,10H2,1-2H3.
What are the key properties of 7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole?
7-[3-(1-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-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114720858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).