1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one

C15H15BrN2OS — CID 65364121

IUPAC1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCC1NCc2ccccc2N(Cc2sccc2Br)C1=O
InChIInChI=1S/C15H15BrN2OS/c1-10-15(19)18(9-14-12(16)6-7-20-14)13-5-3-2-4-11(13)8-17-10/h2-7,10,17H,8-9H2,1H3
InChIKeyWXRIKBSDVOTWCA-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.54
Rot. Bonds2

About 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one

1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one (PubChem CID 65364121) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
PubChem CID65364121
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCC1NCc2ccccc2N(Cc2sccc2Br)C1=O
InChIInChI=1S/C15H15BrN2OS/c1-10-15(19)18(9-14-12(16)6-7-20-14)13-5-3-2-4-11(13)8-17-10/h2-7,10,17H,8-9H2,1H3
InChIKeyWXRIKBSDVOTWCA-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one with MolForge

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
CID 4785348
N-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2608949
2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16285786
N-(2-Bromo-4-methyl-phenyl)-2-[(thiophen-2-ylmethyl)-amino]-acetamide
CID 24746989
2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4789291
N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 25163131
(E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
CID 2424168
N-(3-Bromo-4-methyl-phenyl)-2-[(thiophen-2-ylmethyl)-amino]-acetamide
CID 24761079
N1-(2-(azepan-1-yl)-2-(thiophen-3-yl)ethyl)-N2-(3,4-difluorophenyl)oxalamide
CID 16932567
N-(2-cyanophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 17519773
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide
CID 25161849
3-propanoyl-N-(2-thiophen-2-ylphenyl)-1,3-thiazolidine-4-carboxamide
CID 53571347

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one (CID 65364121) is 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one is CC1NCc2ccccc2N(Cc2sccc2Br)C1=O.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The InChIKey is WXRIKBSDVOTWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-10-15(19)18(9-14-12(16)6-7-20-14)13-5-3-2-4-11(13)8-17-10/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one has a molecular weight of 351.27 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 65364121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).