3-(cyclopentylmethyl)-1,2-dihydroimidazole

C9H16N2 — CID 59091162

IUPAC3-(cyclopentylmethyl)-1,2-dihydroimidazole
SMILESC1=CN(CC2CCCC2)CN1
InChIInChI=1S/C9H16N2/c1-2-4-9(3-1)7-11-6-5-10-8-11/h5-6,9-10H,1-4,7-8H2
InChIKeyQVTVDJWNYQVZKV-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.51
Rot. Bonds2

About 3-(cyclopentylmethyl)-1,2-dihydroimidazole

3-(cyclopentylmethyl)-1,2-dihydroimidazole (PubChem CID 59091162) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-1,2-dihydroimidazole
PubChem CID59091162
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-(cyclopentylmethyl)-1,2-dihydroimidazole
SMILESC1=CN(CC2CCCC2)CN1
InChIInChI=1S/C9H16N2/c1-2-4-9(3-1)7-11-6-5-10-8-11/h5-6,9-10H,1-4,7-8H2
InChIKeyQVTVDJWNYQVZKV-UHFFFAOYSA-N
XLogP1.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopentylethyl)-3-methyl-2H-imidazole
CID 59091158
1-methyl-3-(4-methylhexyl)-2H-imidazole
CID 89192629
3-(4-Methylhexyl)-1,2-dihydroimidazole
CID 90687471
1-(cyclopentylmethyl)-3-methyl-2H-imidazole
CID 141980297
2-Methyl-3-(3-methylpentyl)-1,2-dihydroimidazole
CID 146490523
3-(4-Methylpentyl)-1,2-dihydroimidazole
CID 162769979
3-Methyl-2-(4-methylhexyl)-1,2-dihydroimidazole
CID 166971653
3-(Cyclohexylmethyl)-1,2-dihydroimidazole
CID 174930729
2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine
CID 174948150
1-(2-Ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride
CID 175222160
3-(cyclopentylmethyl)-1H-imidazole-2-thione
CID 43371190
3-(2-cyclopentylethyl)-1H-imidazole-2-thione
CID 60920502

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-1,2-dihydroimidazole?
The IUPAC name of 3-(cyclopentylmethyl)-1,2-dihydroimidazole (CID 59091162) is 3-(cyclopentylmethyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-(cyclopentylmethyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-(cyclopentylmethyl)-1,2-dihydroimidazole is C1=CN(CC2CCCC2)CN1.
What is the InChIKey of 3-(cyclopentylmethyl)-1,2-dihydroimidazole?
The InChIKey is QVTVDJWNYQVZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-4-9(3-1)7-11-6-5-10-8-11/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 3-(cyclopentylmethyl)-1,2-dihydroimidazole?
3-(cyclopentylmethyl)-1,2-dihydroimidazole has a molecular weight of 152.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-1,2-dihydroimidazole is sourced from PubChem (CID 59091162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).