N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide

C16H24N6O2 — CID 97416029

IUPACN-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide
SMILESCOCCN1CCc2ncc(CNC(=O)c3nccn3C)n2CC1
InChIInChI=1S/C16H24N6O2/c1-20-6-4-17-15(20)16(23)19-12-13-11-18-14-3-5-21(9-10-24-2)7-8-22(13)14/h4,6,11H,3,5,7-10,12H2,1-2H3,(H,19,23)
InChIKeyNRDGYTIQLUKDTI-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.05
Rot. Bonds6

About N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide

N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide (PubChem CID 97416029) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide
PubChem CID97416029
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide
SMILESCOCCN1CCc2ncc(CNC(=O)c3nccn3C)n2CC1
InChIInChI=1S/C16H24N6O2/c1-20-6-4-17-15(20)16(23)19-12-13-11-18-14-3-5-21(9-10-24-2)7-8-22(13)14/h4,6,11H,3,5,7-10,12H2,1-2H3,(H,19,23)
InChIKeyNRDGYTIQLUKDTI-UHFFFAOYSA-N
XLogP0.05
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide (CID 97416029) is N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide is COCCN1CCc2ncc(CNC(=O)c3nccn3C)n2CC1.
What is the InChIKey of N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide?
The InChIKey is NRDGYTIQLUKDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-20-6-4-17-15(20)16(23)19-12-13-11-18-14-3-5-21(9-10-24-2)7-8-22(13)14/h4,6,11H,3,5,7-10,12H2,1-2H3,(H,19,23).
What are the key properties of N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide?
N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 97416029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).