2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile

C11H17N3 — CID 163286629

IUPAC2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile
SMILESN#CCC1CCC(N2C=CNC2)CC1
InChIInChI=1S/C11H17N3/c12-6-5-10-1-3-11(4-2-10)14-8-7-13-9-14/h7-8,10-11,13H,1-5,9H2
InChIKeyHQHFZPATPSECQO-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.79
Rot. Bonds2

About 2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile

2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile (PubChem CID 163286629) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile
PubChem CID163286629
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile
SMILESN#CCC1CCC(N2C=CNC2)CC1
InChIInChI=1S/C11H17N3/c12-6-5-10-1-3-11(4-2-10)14-8-7-13-9-14/h7-8,10-11,13H,1-5,9H2
InChIKeyHQHFZPATPSECQO-UHFFFAOYSA-N
XLogP1.79
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile?
The IUPAC name of 2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile (CID 163286629) is 2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile.
What is the SMILES notation for 2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile?
The canonical SMILES for 2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile is N#CCC1CCC(N2C=CNC2)CC1.
What is the InChIKey of 2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile?
The InChIKey is HQHFZPATPSECQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-6-5-10-1-3-11(4-2-10)14-8-7-13-9-14/h7-8,10-11,13H,1-5,9H2.
What are the key properties of 2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile?
2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile has a molecular weight of 191.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-dihydroimidazol-3-yl)cyclohexyl]acetonitrile is sourced from PubChem (CID 163286629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).