1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one

C23H25N7O — CID 67835195

IUPAC1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESO=c1n(CCC2CCCC2)ccn1Cc1ccc(-c2cccc(-c3nn[nH]n3)c2)nc1
InChIInChI=1S/C23H25N7O/c31-23-29(11-10-17-4-1-2-5-17)12-13-30(23)16-18-8-9-21(24-15-18)19-6-3-7-20(14-19)22-25-27-28-26-22/h3,6-9,12-15,17H,1-2,4-5,10-11,16H2,(H,25,26,27,28)
InChIKeyRKHJIAFVXJJVSB-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.52
Rot. Bonds7

About 1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one

1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 67835195) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
PubChem CID67835195
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESO=c1n(CCC2CCCC2)ccn1Cc1ccc(-c2cccc(-c3nn[nH]n3)c2)nc1
InChIInChI=1S/C23H25N7O/c31-23-29(11-10-17-4-1-2-5-17)12-13-30(23)16-18-8-9-21(24-15-18)19-6-3-7-20(14-19)22-25-27-28-26-22/h3,6-9,12-15,17H,1-2,4-5,10-11,16H2,(H,25,26,27,28)
InChIKeyRKHJIAFVXJJVSB-UHFFFAOYSA-N
XLogP3.52
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 67835195) is 1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is O=c1n(CCC2CCCC2)ccn1Cc1ccc(-c2cccc(-c3nn[nH]n3)c2)nc1.
What is the InChIKey of 1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The InChIKey is RKHJIAFVXJJVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c31-23-29(11-10-17-4-1-2-5-17)12-13-30(23)16-18-8-9-21(24-15-18)19-6-3-7-20(14-19)22-25-27-28-26-22/h3,6-9,12-15,17H,1-2,4-5,10-11,16H2,(H,25,26,27,28).
What are the key properties of 1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 415.50 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 67835195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).