2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide

C26H22N4O2 — CID 15200522

IUPAC2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide
SMILESCN1C(=O)C(NC(=O)Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H22N4O2/c1-30-22-14-8-6-12-20(22)24(17-9-3-2-4-10-17)29-25(26(30)32)28-23(31)15-18-16-27-21-13-7-5-11-19(18)21/h2-14,16,25,27H,15H2,1H3,(H,28,31)
InChIKeySTGKTNCRMXDYKG-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.67
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide

2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide (PubChem CID 15200522) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide
PubChem CID15200522
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide
SMILESCN1C(=O)C(NC(=O)Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H22N4O2/c1-30-22-14-8-6-12-20(22)24(17-9-3-2-4-10-17)29-25(26(30)32)28-23(31)15-18-16-27-21-13-7-5-11-19(18)21/h2-14,16,25,27H,15H2,1H3,(H,28,31)
InChIKeySTGKTNCRMXDYKG-UHFFFAOYSA-N
XLogP3.67
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide with MolForge

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Related Compounds

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 69447958
2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide
CID 14208290
N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-4-phenylbutanamide
CID 22854095
N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
CID 10499323
1-[(2-fluorophenyl)methyl]-3-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
CID 97303517
3-methyl-N-[(2S)-1-[[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]-1-oxopropan-2-yl]butanamide
CID 22984545
5-methyl-3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]hexanoic acid
CID 142005605
3-(bromoamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 89225778
(2S)-2-[[2-(2,6-difluorophenyl)acetyl]amino]-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide
CID 10051253
4-chloro-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
CID 14208244
5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
CID 19018663
(2S)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide
CID 22984534

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide (CID 15200522) is 2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide is CN1C(=O)C(NC(=O)Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide?
The InChIKey is STGKTNCRMXDYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-30-22-14-8-6-12-20(22)24(17-9-3-2-4-10-17)29-25(26(30)32)28-23(31)15-18-16-27-21-13-7-5-11-19(18)21/h2-14,16,25,27H,15H2,1H3,(H,28,31).
What are the key properties of 2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide?
2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide has a molecular weight of 422.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide is sourced from PubChem (CID 15200522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).