2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide

C21H21N5O2 — CID 78790797

IUPAC2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N5O2/c1-13(27)24-19(10-14-11-22-16-7-3-2-6-15(14)16)21(28)23-12-20-25-17-8-4-5-9-18(17)26-20/h2-9,11,19,22H,10,12H2,1H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyDWMVFJHWMLQAED-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.41
Rot. Bonds6

About 2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide

2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 78790797) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
PubChem CID78790797
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N5O2/c1-13(27)24-19(10-14-11-22-16-7-3-2-6-15(14)16)21(28)23-12-20-25-17-8-4-5-9-18(17)26-20/h2-9,11,19,22H,10,12H2,1H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyDWMVFJHWMLQAED-UHFFFAOYSA-N
XLogP2.41
TPSA102.67 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide
CID 47086404
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978358
2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 74629777
(2S)-2-acetamido-N-[(2,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 35806397
(2R)-N-benzyl-3-(1H-indol-3-yl)-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide
CID 51398273
2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide
CID 166306258
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 55636976
N-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 33118486
(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 990959

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide (CID 78790797) is 2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is DWMVFJHWMLQAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13(27)24-19(10-14-11-22-16-7-3-2-6-15(14)16)21(28)23-12-20-25-17-8-4-5-9-18(17)26-20/h2-9,11,19,22H,10,12H2,1H3,(H,23,28)(H,24,27)(H,25,26).
What are the key properties of 2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 375.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 78790797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).