4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine

C17H21N3 — CID 114702984

IUPAC4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
SMILESc1cc2c(cc1-n1cncc1C1CCNCC1)CCC2
InChIInChI=1S/C17H21N3/c1-2-13-4-5-16(10-15(13)3-1)20-12-19-11-17(20)14-6-8-18-9-7-14/h4-5,10-12,14,18H,1-3,6-9H2
InChIKeyBZVBZPCMSIPNQX-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.83
Rot. Bonds2

About 4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine

4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine (PubChem CID 114702984) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
PubChem CID114702984
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
SMILESc1cc2c(cc1-n1cncc1C1CCNCC1)CCC2
InChIInChI=1S/C17H21N3/c1-2-13-4-5-16(10-15(13)3-1)20-12-19-11-17(20)14-6-8-18-9-7-14/h4-5,10-12,14,18H,1-3,6-9H2
InChIKeyBZVBZPCMSIPNQX-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702986
4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
CID 114702647
4-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]piperidine
CID 114703013
4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine
CID 114706284
4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine
CID 114703213
1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716120
4-[3-(2-fluorophenyl)imidazol-4-yl]piperidine
CID 114703452
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703160
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine (CID 114702984) is 4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine is c1cc2c(cc1-n1cncc1C1CCNCC1)CCC2.
What is the InChIKey of 4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine?
The InChIKey is BZVBZPCMSIPNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-13-4-5-16(10-15(13)3-1)20-12-19-11-17(20)14-6-8-18-9-7-14/h4-5,10-12,14,18H,1-3,6-9H2.
What are the key properties of 4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine?
4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine has a molecular weight of 267.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114702984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).