1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C17H23N3O2 — CID 97381668

IUPAC1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESc1cc(CN2CCCn3cnc(COCC4CC4)c3C2)co1
InChIInChI=1S/C17H23N3O2/c1-5-19(8-15-4-7-21-11-15)9-17-16(18-13-20(17)6-1)12-22-10-14-2-3-14/h4,7,11,13-14H,1-3,5-6,8-10,12H2
InChIKeyVAVFSAZXWICILZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.81
Rot. Bonds6

About 1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 97381668) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID97381668
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESc1cc(CN2CCCn3cnc(COCC4CC4)c3C2)co1
InChIInChI=1S/C17H23N3O2/c1-5-19(8-15-4-7-21-11-15)9-17-16(18-13-20(17)6-1)12-22-10-14-2-3-14/h4,7,11,13-14H,1-3,5-6,8-10,12H2
InChIKeyVAVFSAZXWICILZ-UHFFFAOYSA-N
XLogP2.81
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(furan-3-yl)methanone
CID 97381679
8-(Furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97381696
[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone
CID 97405977
N-[[7-(furan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467160
[1-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone
CID 97520218
8-(Furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118744941
1-(Cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118745087
6-(Cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155824494
1-(Ethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155825740
N-ethyl-N-[[7-(furan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155844822
2-[[8-(Furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanol;2,2,2-trifluoroacetic acid
CID 155846166
4-[[7-(Furan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155851123

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 97381668) is 1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is c1cc(CN2CCCn3cnc(COCC4CC4)c3C2)co1.
What is the InChIKey of 1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is VAVFSAZXWICILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-19(8-15-4-7-21-11-15)9-17-16(18-13-20(17)6-1)12-22-10-14-2-3-14/h4,7,11,13-14H,1-3,5-6,8-10,12H2.
What are the key properties of 1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 301.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97381668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).