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

C24H28N4O — CID 134805870

IUPACN-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc2n1CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C24H28N4O/c29-24(26-18-21-10-5-2-6-11-21)22-19-25-23-13-15-27(16-17-28(22)23)14-7-12-20-8-3-1-4-9-20/h1-6,8-11,19H,7,12-18H2,(H,26,29)
InChIKeyBHIGQMRQMDOHBO-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.30
Rot. Bonds7

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

N-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide (PubChem CID 134805870) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
PubChem CID134805870
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc2n1CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C24H28N4O/c29-24(26-18-21-10-5-2-6-11-21)22-19-25-23-13-15-27(16-17-28(22)23)14-7-12-20-8-3-1-4-9-20/h1-6,8-11,19H,7,12-18H2,(H,26,29)
InChIKeyBHIGQMRQMDOHBO-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The IUPAC name of N-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide (CID 134805870) is N-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide.
What is the SMILES notation for N-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The canonical SMILES for N-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide is O=C(NCc1ccccc1)c1cnc2n1CCN(CCCc1ccccc1)CC2.
What is the InChIKey of N-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The InChIKey is BHIGQMRQMDOHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24(26-18-21-10-5-2-6-11-21)22-19-25-23-13-15-27(16-17-28(22)23)14-7-12-20-8-3-1-4-9-20/h1-6,8-11,19H,7,12-18H2,(H,26,29).
What are the key properties of N-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
N-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide is sourced from PubChem (CID 134805870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).