3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid

C19H18N4O4 — CID 70347028

IUPAC3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cccc(NC(=O)Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H18N4O4/c24-17(11-16-22-14-6-1-2-7-15(14)23-16)21-13-5-3-4-12(10-13)19(27)20-9-8-18(25)26/h1-7,10H,8-9,11H2,(H,20,27)(H,21,24)(H,22,23)(H,25,26)
InChIKeyUVNWQWUKMXFNIB-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.95
Rot. Bonds7

About 3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid

3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid (PubChem CID 70347028) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid
PubChem CID70347028
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cccc(NC(=O)Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H18N4O4/c24-17(11-16-22-14-6-1-2-7-15(14)23-16)21-13-5-3-4-12(10-13)19(27)20-9-8-18(25)26/h1-7,10H,8-9,11H2,(H,20,27)(H,21,24)(H,22,23)(H,25,26)
InChIKeyUVNWQWUKMXFNIB-UHFFFAOYSA-N
XLogP1.95
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid with MolForge

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Related Compounds

N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 74240019
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
3-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 70065972
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
3-[[3-[6-(diaminomethylideneamino)hexanoylamino]benzoyl]amino]propanoic acid
CID 19996407
2-(1H-benzimidazol-2-yl)-N-butylacetamide
CID 3852846
[[2-(1H-benzimidazol-2-yl)acetyl]amino]methylphosphonic acid
CID 139908110
1-[[2-(1H-benzimidazol-2-yl)acetyl]amino]-3-(3-methylphenyl)thiourea
CID 3061161
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzamide
CID 719296
2-(1H-benzimidazol-2-yl)-N-pentylacetamide
CID 67833301
3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid
CID 167851863

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid (CID 70347028) is 3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid is O=C(O)CCNC(=O)c1cccc(NC(=O)Cc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid?
The InChIKey is UVNWQWUKMXFNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-17(11-16-22-14-6-1-2-7-15(14)23-16)21-13-5-3-4-12(10-13)19(27)20-9-8-18(25)26/h1-7,10H,8-9,11H2,(H,20,27)(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid?
3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid has a molecular weight of 366.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid is sourced from PubChem (CID 70347028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).