[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone

C15H24N4O2 — CID 97466966

IUPAC[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCN(C)Cc1cnc2n1CCN(C(=O)[C@H]1CCCO1)CC2
InChIInChI=1S/C15H24N4O2/c1-17(2)11-12-10-16-14-5-6-18(7-8-19(12)14)15(20)13-4-3-9-21-13/h10,13H,3-9,11H2,1-2H3/t13-/m1/s1
InChIKeyZRXMJEBHFPECOL-CYBMUJFWSA-N
MW292.38 g/mol
LogP0.51
Rot. Bonds3

About [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone

[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 97466966) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID97466966
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCN(C)Cc1cnc2n1CCN(C(=O)[C@H]1CCCO1)CC2
InChIInChI=1S/C15H24N4O2/c1-17(2)11-12-10-16-14-5-6-18(7-8-19(12)14)15(20)13-4-3-9-21-13/h10,13H,3-9,11H2,1-2H3/t13-/m1/s1
InChIKeyZRXMJEBHFPECOL-CYBMUJFWSA-N
XLogP0.51
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone (CID 97466966) is [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone is CN(C)Cc1cnc2n1CCN(C(=O)[C@H]1CCCO1)CC2.
What is the InChIKey of [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is ZRXMJEBHFPECOL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17(2)11-12-10-16-14-5-6-18(7-8-19(12)14)15(20)13-4-3-9-21-13/h10,13H,3-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone?
[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 97466966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).