2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile

C15H15N3O — CID 174975032

IUPAC2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile
SMILESN#Cc1cc(-c2cnc[nH]2)ccc1OC1CCCC1
InChIInChI=1S/C15H15N3O/c16-8-12-7-11(14-9-17-10-18-14)5-6-15(12)19-13-3-1-2-4-13/h5-7,9-10,13H,1-4H2,(H,17,18)
InChIKeyQNAIDXGTPVTBOJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds3

About 2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile

2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile (PubChem CID 174975032) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile.

Molecular Properties

Compound Name2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile
PubChem CID174975032
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile
SMILESN#Cc1cc(-c2cnc[nH]2)ccc1OC1CCCC1
InChIInChI=1S/C15H15N3O/c16-8-12-7-11(14-9-17-10-18-14)5-6-15(12)19-13-3-1-2-4-13/h5-7,9-10,13H,1-4H2,(H,17,18)
InChIKeyQNAIDXGTPVTBOJ-UHFFFAOYSA-N
XLogP3.27
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine
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2-(3-cyano-4-cyclohexyloxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylic acid
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5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(oxan-4-yloxy)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile?
The IUPAC name of 2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile (CID 174975032) is 2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile.
What is the SMILES notation for 2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile?
The canonical SMILES for 2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile is N#Cc1cc(-c2cnc[nH]2)ccc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile?
The InChIKey is QNAIDXGTPVTBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-8-12-7-11(14-9-17-10-18-14)5-6-15(12)19-13-3-1-2-4-13/h5-7,9-10,13H,1-4H2,(H,17,18).
What are the key properties of 2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile?
2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile has a molecular weight of 253.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile is sourced from PubChem (CID 174975032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).