2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide

C22H26N6O — CID 23433096

IUPAC2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide
SMILESCCN(CC)CCn1cc(-c2nc3c(C(=O)NN)cccc3[nH]2)c2ccccc21
InChIInChI=1S/C22H26N6O/c1-3-27(4-2)12-13-28-14-17(15-8-5-6-11-19(15)28)21-24-18-10-7-9-16(20(18)25-21)22(29)26-23/h5-11,14H,3-4,12-13,23H2,1-2H3,(H,24,25)(H,26,29)
InChIKeyYUVIWMMJZNMBJO-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.13
Rot. Bonds7

About 2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide

2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide (PubChem CID 23433096) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide
PubChem CID23433096
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide
SMILESCCN(CC)CCn1cc(-c2nc3c(C(=O)NN)cccc3[nH]2)c2ccccc21
InChIInChI=1S/C22H26N6O/c1-3-27(4-2)12-13-28-14-17(15-8-5-6-11-19(15)28)21-24-18-10-7-9-16(20(18)25-21)22(29)26-23/h5-11,14H,3-4,12-13,23H2,1-2H3,(H,24,25)(H,26,29)
InChIKeyYUVIWMMJZNMBJO-UHFFFAOYSA-N
XLogP3.13
TPSA91.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide?
The IUPAC name of 2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide (CID 23433096) is 2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide.
What is the SMILES notation for 2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide?
The canonical SMILES for 2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide is CCN(CC)CCn1cc(-c2nc3c(C(=O)NN)cccc3[nH]2)c2ccccc21.
What is the InChIKey of 2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide?
The InChIKey is YUVIWMMJZNMBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-3-27(4-2)12-13-28-14-17(15-8-5-6-11-19(15)28)21-24-18-10-7-9-16(20(18)25-21)22(29)26-23/h5-11,14H,3-4,12-13,23H2,1-2H3,(H,24,25)(H,26,29).
What are the key properties of 2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide?
2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide has a molecular weight of 390.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)ethyl]indol-3-yl]-1H-benzimidazole-4-carbohydrazide is sourced from PubChem (CID 23433096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).