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

C17H22N4 — CID 114718371

IUPAC7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
SMILESCN1CCCC(n2cncc2-c2cccc3c2NCC3)C1
InChIInChI=1S/C17H22N4/c1-20-9-3-5-14(11-20)21-12-18-10-16(21)15-6-2-4-13-7-8-19-17(13)15/h2,4,6,10,12,14,19H,3,5,7-9,11H2,1H3
InChIKeyIUUMSJBIKCEMEZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.78
Rot. Bonds2

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

7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole (PubChem CID 114718371) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
PubChem CID114718371
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
SMILESCN1CCCC(n2cncc2-c2cccc3c2NCC3)C1
InChIInChI=1S/C17H22N4/c1-20-9-3-5-14(11-20)21-12-18-10-16(21)15-6-2-4-13-7-8-19-17(13)15/h2,4,6,10,12,14,19H,3,5,7-9,11H2,1H3
InChIKeyIUUMSJBIKCEMEZ-UHFFFAOYSA-N
XLogP2.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole (CID 114718371) is 7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole is CN1CCCC(n2cncc2-c2cccc3c2NCC3)C1.
What is the InChIKey of 7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The InChIKey is IUUMSJBIKCEMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-20-9-3-5-14(11-20)21-12-18-10-16(21)15-6-2-4-13-7-8-19-17(13)15/h2,4,6,10,12,14,19H,3,5,7-9,11H2,1H3.
What are the key properties of 7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole?
7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole has a molecular weight of 282.39 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114718371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).