benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate

C21H21N3O2 — CID 58304090

IUPACbenzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate
SMILESCc1cn2c(n1)C(NC(=O)OCc1ccccc1)CCc1ccccc1-2
InChIInChI=1S/C21H21N3O2/c1-15-13-24-19-10-6-5-9-17(19)11-12-18(20(24)22-15)23-21(25)26-14-16-7-3-2-4-8-16/h2-10,13,18H,11-12,14H2,1H3,(H,23,25)
InChIKeyJFXOCYYXIAFEKW-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.09
Rot. Bonds3

About benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate

benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate (PubChem CID 58304090) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate
PubChem CID58304090
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Namebenzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate
SMILESCc1cn2c(n1)C(NC(=O)OCc1ccccc1)CCc1ccccc1-2
InChIInChI=1S/C21H21N3O2/c1-15-13-24-19-10-6-5-9-17(19)11-12-18(20(24)22-15)23-21(25)26-14-16-7-3-2-4-8-16/h2-10,13,18H,11-12,14H2,1H3,(H,23,25)
InChIKeyJFXOCYYXIAFEKW-UHFFFAOYSA-N
XLogP4.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 167740174
benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
CID 110751410
(2S)-1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 13176835
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-[4-[[(3R)-1-benzyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-2-methyl-4-oxobutan-2-yl]carbamate
CID 18651463
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate
CID 15485715
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 11175233
benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
CID 13132707
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701
2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid
CID 23213435

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate?
The IUPAC name of benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate (CID 58304090) is benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate.
What is the SMILES notation for benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate?
The canonical SMILES for benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate is Cc1cn2c(n1)C(NC(=O)OCc1ccccc1)CCc1ccccc1-2.
What is the InChIKey of benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate?
The InChIKey is JFXOCYYXIAFEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-13-24-19-10-6-5-9-17(19)11-12-18(20(24)22-15)23-21(25)26-14-16-7-3-2-4-8-16/h2-10,13,18H,11-12,14H2,1H3,(H,23,25).
What are the key properties of benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate?
benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate has a molecular weight of 347.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate is sourced from PubChem (CID 58304090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).