(2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide

C26H23N5O2 — CID 162676163

IUPAC(2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide
SMILESO=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C26H23N5O2/c32-24(15-18-16-27-20-11-5-4-10-19(18)20)28-23(14-17-8-2-1-3-9-17)25(33)31-26-29-21-12-6-7-13-22(21)30-26/h1-13,16,23,27H,14-15H2,(H,28,32)(H2,29,30,31,33)/t23-/m0/s1
InChIKeyYMSSBGISVGMAMR-QHCPKHFHSA-N
MW437.50 g/mol
LogP3.95
Rot. Bonds7

About (2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide

(2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide (PubChem CID 162676163) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is (2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide
PubChem CID162676163
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name(2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide
SMILESO=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C26H23N5O2/c32-24(15-18-16-27-20-11-5-4-10-19(18)20)28-23(14-17-8-2-1-3-9-17)25(33)31-26-29-21-12-6-7-13-22(21)30-26/h1-13,16,23,27H,14-15H2,(H,28,32)(H2,29,30,31,33)/t23-/m0/s1
InChIKeyYMSSBGISVGMAMR-QHCPKHFHSA-N
XLogP3.95
TPSA102.67 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-indol-3-yl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 47090271
N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
CID 9442039
2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
CID 18221172
(2S)-2-[[2-(6-hydroxy-1H-indol-3-yl)acetyl]amino]-3-phenylpropanoate
CID 126961234
2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 78790797
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 7033653
2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 19949098
2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18231728
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-pyridin-4-ylpropanamide
CID 72703895
2-[4-(1H-indol-3-yl)butanoylamino]-3-phenylpropanoic acid
CID 6917052
N-[1-(1H-benzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 3582836
3-[[(2S)-1-(4-hydroxyanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 177375477

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide (CID 162676163) is (2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide is O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of (2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide?
The InChIKey is YMSSBGISVGMAMR-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-24(15-18-16-27-20-11-5-4-10-19(18)20)28-23(14-17-8-2-1-3-9-17)25(33)31-26-29-21-12-6-7-13-22(21)30-26/h1-13,16,23,27H,14-15H2,(H,28,32)(H2,29,30,31,33)/t23-/m0/s1.
What are the key properties of (2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide?
(2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide has a molecular weight of 437.50 g/mol, XLogP of 3.95, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 162676163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).