N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

C21H24N4O3 — CID 155909984

IUPACN-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESO=C(NCc1cc2ccccc2o1)c1cn2c(n1)CCN(C1CCOC1)CC2
InChIInChI=1S/C21H24N4O3/c26-21(22-12-17-11-15-3-1-2-4-19(15)28-17)18-13-25-9-8-24(7-5-20(25)23-18)16-6-10-27-14-16/h1-4,11,13,16H,5-10,12,14H2,(H,22,26)
InChIKeyQZOXSLLFYFERGI-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.21
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 155909984) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID155909984
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESO=C(NCc1cc2ccccc2o1)c1cn2c(n1)CCN(C1CCOC1)CC2
InChIInChI=1S/C21H24N4O3/c26-21(22-12-17-11-15-3-1-2-4-19(15)28-17)18-13-25-9-8-24(7-5-20(25)23-18)16-6-10-27-14-16/h1-4,11,13,16H,5-10,12,14H2,(H,22,26)
InChIKeyQZOXSLLFYFERGI-UHFFFAOYSA-N
XLogP2.21
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 157014241
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
1-methyl-N-[[7-[(3R)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrrole-2-carboxamide
CID 97467216
1-(1-benzofuran-2-ylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 71941289
N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155971749
(6R)-N-(furan-2-ylmethyl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009686
N-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838021
N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide
CID 172665635
N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
CID 140966924
methyl 1-[N-(1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252924
N-(1-benzofuran-2-ylmethyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 87001291

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 155909984) is N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is O=C(NCc1cc2ccccc2o1)c1cn2c(n1)CCN(C1CCOC1)CC2.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is QZOXSLLFYFERGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-21(22-12-17-11-15-3-1-2-4-19(15)28-17)18-13-25-9-8-24(7-5-20(25)23-18)16-6-10-27-14-16/h1-4,11,13,16H,5-10,12,14H2,(H,22,26).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 155909984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).