3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate

C19H17N3O3 — CID 47094352

IUPAC3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate
SMILESO=C(OCCCn1c(=O)[nH]c2ccccc21)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O3/c23-18(14-12-20-15-7-2-1-6-13(14)15)25-11-5-10-22-17-9-4-3-8-16(17)21-19(22)24/h1-4,6-9,12,20H,5,10-11H2,(H,21,24)
InChIKeyBFSLAHPQZSCGKN-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.06
Rot. Bonds5

About 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate

3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate (PubChem CID 47094352) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate
PubChem CID47094352
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate
SMILESO=C(OCCCn1c(=O)[nH]c2ccccc21)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O3/c23-18(14-12-20-15-7-2-1-6-13(14)15)25-11-5-10-22-17-9-4-3-8-16(17)21-19(22)24/h1-4,6-9,12,20H,5,10-11H2,(H,21,24)
InChIKeyBFSLAHPQZSCGKN-UHFFFAOYSA-N
XLogP3.06
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxo-3H-benzimidazol-1-yl)propyl 2,3-dimethylbenzoate
CID 2685940
3-(2-oxo-3H-benzimidazol-1-yl)propyl 2,4-dimethylbenzoate
CID 9107930
3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(hydroxymethyl)benzoate
CID 2686185
3-(2-oxo-3H-benzimidazol-1-yl)propyl 3,5-dimethylbenzoate
CID 16523706
3-(2-oxo-3H-benzimidazol-1-yl)propyl naphthalene-2-carboxylate
CID 47093977
3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-hydroxybenzoate
CID 2685787
3-(3-aminooxypropyl)-1H-benzimidazol-2-one
CID 106938634
3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-ethoxypyridine-3-carboxylate
CID 2685931
3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 22109797
3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-amino-5-chloro-2-methoxybenzoate
CID 16578286
3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-methoxy-4-methylsulfanylbenzoate
CID 9114936
3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-amino-4-chlorobenzoate
CID 16578169

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate?
The IUPAC name of 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate (CID 47094352) is 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate.
What is the SMILES notation for 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate?
The canonical SMILES for 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate is O=C(OCCCn1c(=O)[nH]c2ccccc21)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate?
The InChIKey is BFSLAHPQZSCGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(14-12-20-15-7-2-1-6-13(14)15)25-11-5-10-22-17-9-4-3-8-16(17)21-19(22)24/h1-4,6-9,12,20H,5,10-11H2,(H,21,24).
What are the key properties of 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate?
3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate is sourced from PubChem (CID 47094352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).