2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid

C24H18N4O3 — CID 68972273

IUPAC2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(NC(=O)c3cc4ccccc4n3Cc3ccccc3)nc12
InChIInChI=1S/C24H18N4O3/c29-22(27-24-25-18-11-6-10-17(23(30)31)21(18)26-24)20-13-16-9-4-5-12-19(16)28(20)14-15-7-2-1-3-8-15/h1-13H,14H2,(H,30,31)(H2,25,26,27,29)
InChIKeyDYSZMGNILPOGSU-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.52
Rot. Bonds5

About 2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid

2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid (PubChem CID 68972273) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
PubChem CID68972273
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(NC(=O)c3cc4ccccc4n3Cc3ccccc3)nc12
InChIInChI=1S/C24H18N4O3/c29-22(27-24-25-18-11-6-10-17(23(30)31)21(18)26-24)20-13-16-9-4-5-12-19(16)28(20)14-15-7-2-1-3-8-15/h1-13H,14H2,(H,30,31)(H2,25,26,27,29)
InChIKeyDYSZMGNILPOGSU-UHFFFAOYSA-N
XLogP4.52
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid (CID 68972273) is 2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(NC(=O)c3cc4ccccc4n3Cc3ccccc3)nc12.
What is the InChIKey of 2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is DYSZMGNILPOGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c29-22(27-24-25-18-11-6-10-17(23(30)31)21(18)26-24)20-13-16-9-4-5-12-19(16)28(20)14-15-7-2-1-3-8-15/h1-13H,14H2,(H,30,31)(H2,25,26,27,29).
What are the key properties of 2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid?
2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 410.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 68972273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).