5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile

C16H17N3O — CID 144776060

IUPAC5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile
SMILESN#Cc1nc[nH]c1-c1cccc(COC2CCCC2)c1
InChIInChI=1S/C16H17N3O/c17-9-15-16(19-11-18-15)13-5-3-4-12(8-13)10-20-14-6-1-2-7-14/h3-5,8,11,14H,1-2,6-7,10H2,(H,18,19)
InChIKeyREYGYAIXPCEMDL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.41
Rot. Bonds4

About 5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile

5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile (PubChem CID 144776060) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile
PubChem CID144776060
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile
SMILESN#Cc1nc[nH]c1-c1cccc(COC2CCCC2)c1
InChIInChI=1S/C16H17N3O/c17-9-15-16(19-11-18-15)13-5-3-4-12(8-13)10-20-14-6-1-2-7-14/h3-5,8,11,14H,1-2,6-7,10H2,(H,18,19)
InChIKeyREYGYAIXPCEMDL-UHFFFAOYSA-N
XLogP3.41
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile?
The IUPAC name of 5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile (CID 144776060) is 5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile.
What is the SMILES notation for 5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile?
The canonical SMILES for 5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile is N#Cc1nc[nH]c1-c1cccc(COC2CCCC2)c1.
What is the InChIKey of 5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile?
The InChIKey is REYGYAIXPCEMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-9-15-16(19-11-18-15)13-5-3-4-12(8-13)10-20-14-6-1-2-7-14/h3-5,8,11,14H,1-2,6-7,10H2,(H,18,19).
What are the key properties of 5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile?
5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopentyloxymethyl)phenyl]-1H-imidazole-4-carbonitrile is sourced from PubChem (CID 144776060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).