2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone

C19H26N4O2 — CID 131655632

IUPAC2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
SMILESCN(Cc1ccco1)CC1CN(C(=O)CC2CC2)Cc2nccn2C1
InChIInChI=1S/C19H26N4O2/c1-21(13-17-3-2-8-25-17)10-16-11-22-7-6-20-18(22)14-23(12-16)19(24)9-15-4-5-15/h2-3,6-8,15-16H,4-5,9-14H2,1H3
InChIKeyVGCJVFKSPXXBLQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.37
Rot. Bonds6

About 2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone

2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone (PubChem CID 131655632) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
PubChem CID131655632
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
SMILESCN(Cc1ccco1)CC1CN(C(=O)CC2CC2)Cc2nccn2C1
InChIInChI=1S/C19H26N4O2/c1-21(13-17-3-2-8-25-17)10-16-11-22-7-6-20-18(22)14-23(12-16)19(24)9-15-4-5-15/h2-3,6-8,15-16H,4-5,9-14H2,1H3
InChIKeyVGCJVFKSPXXBLQ-UHFFFAOYSA-N
XLogP2.37
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-1-(8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methanamine;2,2,2-trifluoroacetic acid
CID 155845035
2-cyclopropyl-1-[6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 134069047
1-[(6S)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
CID 97381822
cyclopropyl-[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 118746679
2-(4-aminocyclohexyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63020386
N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
CID 118744938
2-[[(6R)-8-(furan-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
CID 97463163
[(6S)-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(furan-2-yl)methanone
CID 97463144
1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 131682161
(4-methylcyclohexyl)-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 131681830
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131646208

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone (CID 131655632) is 2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone is CN(Cc1ccco1)CC1CN(C(=O)CC2CC2)Cc2nccn2C1.
What is the InChIKey of 2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
The InChIKey is VGCJVFKSPXXBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-21(13-17-3-2-8-25-17)10-16-11-22-7-6-20-18(22)14-23(12-16)19(24)9-15-4-5-15/h2-3,6-8,15-16H,4-5,9-14H2,1H3.
What are the key properties of 2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[6-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone is sourced from PubChem (CID 131655632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).