2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

C14H21N3O — CID 50978760

IUPAC2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESO=C1NCCCc2[nH]c(CCC3CCCC3)nc21
InChIInChI=1S/C14H21N3O/c18-14-13-11(6-3-9-15-14)16-12(17-13)8-7-10-4-1-2-5-10/h10H,1-9H2,(H,15,18)(H,16,17)
InChIKeyPLEKSVNIEWYJBW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.21
Rot. Bonds3

About 2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (PubChem CID 50978760) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
PubChem CID50978760
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESO=C1NCCCc2[nH]c(CCC3CCCC3)nc21
InChIInChI=1S/C14H21N3O/c18-14-13-11(6-3-9-15-14)16-12(17-13)8-7-10-4-1-2-5-10/h10H,1-9H2,(H,15,18)(H,16,17)
InChIKeyPLEKSVNIEWYJBW-UHFFFAOYSA-N
XLogP2.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The IUPAC name of 2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (CID 50978760) is 2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The canonical SMILES for 2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is O=C1NCCCc2[nH]c(CCC3CCCC3)nc21.
What is the InChIKey of 2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The InChIKey is PLEKSVNIEWYJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14-13-11(6-3-9-15-14)16-12(17-13)8-7-10-4-1-2-5-10/h10H,1-9H2,(H,15,18)(H,16,17).
What are the key properties of 2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one has a molecular weight of 247.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 50978760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).