N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide

C24H28N4O — CID 134807147

IUPACN,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc2n1CCN(CCc1ccccc1)CC2
InChIInChI=1S/C24H28N4O/c29-24(25-14-11-20-7-3-1-4-8-20)22-19-26-23-13-16-27(17-18-28(22)23)15-12-21-9-5-2-6-10-21/h1-10,19H,11-18H2,(H,25,29)
InChIKeyGXJXTSLBTMNMSI-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.96
Rot. Bonds7

About N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide

N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide (PubChem CID 134807147) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide.

Molecular Properties

Compound NameN,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
PubChem CID134807147
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc2n1CCN(CCc1ccccc1)CC2
InChIInChI=1S/C24H28N4O/c29-24(25-14-11-20-7-3-1-4-8-20)22-19-26-23-13-16-27(17-18-28(22)23)15-12-21-9-5-2-6-10-21/h1-10,19H,11-18H2,(H,25,29)
InChIKeyGXJXTSLBTMNMSI-UHFFFAOYSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The IUPAC name of N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide (CID 134807147) is N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide.
What is the SMILES notation for N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The canonical SMILES for N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide is O=C(NCCc1ccccc1)c1cnc2n1CCN(CCc1ccccc1)CC2.
What is the InChIKey of N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The InChIKey is GXJXTSLBTMNMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24(25-14-11-20-7-3-1-4-8-20)22-19-26-23-13-16-27(17-18-28(22)23)15-12-21-9-5-2-6-10-21/h1-10,19H,11-18H2,(H,25,29).
What are the key properties of N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide is sourced from PubChem (CID 134807147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).