[7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone

C27H32N4O — CID 134806852

IUPAC[7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cnc2n1CCN(CCc1ccccc1)CC2)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C27H32N4O/c32-27(30-17-12-24(13-18-30)23-9-5-2-6-10-23)25-21-28-26-14-16-29(19-20-31(25)26)15-11-22-7-3-1-4-8-22/h1-10,21,24H,11-20H2
InChIKeyUREVGZNUPSSZEI-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.00
Rot. Bonds5

About [7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone

[7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 134806852) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is [7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID134806852
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name[7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cnc2n1CCN(CCc1ccccc1)CC2)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C27H32N4O/c32-27(30-17-12-24(13-18-30)23-9-5-2-6-10-23)25-21-28-26-14-16-29(19-20-31(25)26)15-11-22-7-3-1-4-8-22/h1-10,21,24H,11-20H2
InChIKeyUREVGZNUPSSZEI-UHFFFAOYSA-N
XLogP4.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone (CID 134806852) is [7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone is O=C(c1cnc2n1CCN(CCc1ccccc1)CC2)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is UREVGZNUPSSZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c32-27(30-17-12-24(13-18-30)23-9-5-2-6-10-23)25-21-28-26-14-16-29(19-20-31(25)26)15-11-22-7-3-1-4-8-22/h1-10,21,24H,11-20H2.
What are the key properties of [7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone?
[7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 428.58 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 134806852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).