(2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide

C19H21N5O — CID 67902448

IUPAC(2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide
SMILESNc1ccccc1N(Cc1ccccc1)C(=O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C19H21N5O/c20-16-8-4-5-9-18(16)24(12-14-6-2-1-3-7-14)19(25)17(21)10-15-11-22-13-23-15/h1-9,11,13,17H,10,12,20-21H2,(H,22,23)/t17-/m0/s1
InChIKeyAHEVWXXTZZLLPE-KRWDZBQOSA-N
MW335.41 g/mol
LogP2.10
Rot. Bonds6

About (2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide

(2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide (PubChem CID 67902448) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide
PubChem CID67902448
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide
SMILESNc1ccccc1N(Cc1ccccc1)C(=O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C19H21N5O/c20-16-8-4-5-9-18(16)24(12-14-6-2-1-3-7-14)19(25)17(21)10-15-11-22-13-23-15/h1-9,11,13,17H,10,12,20-21H2,(H,22,23)/t17-/m0/s1
InChIKeyAHEVWXXTZZLLPE-KRWDZBQOSA-N
XLogP2.10
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2-aminophenyl)-3-(1H-imidazol-5-yl)-N-(4-methylphenyl)propanamide
CID 67902417
(3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one
CID 22803161
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-phenylacetic acid
CID 174909825
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-aminopropanoic acid
CID 18657563
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
CID 175083689

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide (CID 67902448) is (2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide is Nc1ccccc1N(Cc1ccccc1)C(=O)[C@@H](N)Cc1cnc[nH]1.
What is the InChIKey of (2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is AHEVWXXTZZLLPE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O/c20-16-8-4-5-9-18(16)24(12-14-6-2-1-3-7-14)19(25)17(21)10-15-11-22-13-23-15/h1-9,11,13,17H,10,12,20-21H2,(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide?
(2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 67902448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).