7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole

C17H20N4 — CID 155502063

IUPAC7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole
SMILESCCN1CCC(n2ccnc2-c2cccc3cc[nH]c23)C1
InChIInChI=1S/C17H20N4/c1-2-20-10-7-14(12-20)21-11-9-19-17(21)15-5-3-4-13-6-8-18-16(13)15/h3-6,8-9,11,14,18H,2,7,10,12H2,1H3
InChIKeyXCCRMEJAHJKIBQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.30
Rot. Bonds3

About 7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole

7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole (PubChem CID 155502063) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole
PubChem CID155502063
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole
SMILESCCN1CCC(n2ccnc2-c2cccc3cc[nH]c23)C1
InChIInChI=1S/C17H20N4/c1-2-20-10-7-14(12-20)21-11-9-19-17(21)15-5-3-4-13-6-8-18-16(13)15/h3-6,8-9,11,14,18H,2,7,10,12H2,1H3
InChIKeyXCCRMEJAHJKIBQ-UHFFFAOYSA-N
XLogP3.30
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 154817183
1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
CID 146043336
1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
CID 154820358
3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine
CID 146038437
6-chloro-2-[1-(1-ethylpiperidin-3-yl)imidazol-2-yl]quinoline
CID 146039646
4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide
CID 154563991
2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile
CID 105444431
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
7-[6-[6-(1H-indol-7-yl)-2-pyridinyl]-2-pyridinyl]-1H-indole
CID 145302463
[5-[1-[(3S)-1-benzylpyrrolidin-3-yl]imidazol-2-yl]furan-2-yl]methanol
CID 95555840
8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 146482573
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole
CID 96575774

Frequently Asked Questions

What is the IUPAC name of 7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole?
The IUPAC name of 7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole (CID 155502063) is 7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole.
What is the SMILES notation for 7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole?
The canonical SMILES for 7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole is CCN1CCC(n2ccnc2-c2cccc3cc[nH]c23)C1.
What is the InChIKey of 7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole?
The InChIKey is XCCRMEJAHJKIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-20-10-7-14(12-20)21-11-9-19-17(21)15-5-3-4-13-6-8-18-16(13)15/h3-6,8-9,11,14,18H,2,7,10,12H2,1H3.
What are the key properties of 7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole?
7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole has a molecular weight of 280.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole is sourced from PubChem (CID 155502063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).