3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide

C23H21N5O — CID 56670166

IUPAC3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide
SMILES[H]/N=C(\N)c1cccc(C(=O)Nc2ccc3c(CC)nn(-c4ccccc4)c3c2)c1
InChIInChI=1S/C23H21N5O/c1-2-20-19-12-11-17(14-21(19)28(27-20)18-9-4-3-5-10-18)26-23(29)16-8-6-7-15(13-16)22(24)25/h3-14H,2H2,1H3,(H3,24,25)(H,26,29)
InChIKeyHMHONCLSBVJWLY-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.12
Rot. Bonds5

About 3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide

3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide (PubChem CID 56670166) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide.

Molecular Properties

Compound Name3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide
PubChem CID56670166
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide
SMILES[H]/N=C(\N)c1cccc(C(=O)Nc2ccc3c(CC)nn(-c4ccccc4)c3c2)c1
InChIInChI=1S/C23H21N5O/c1-2-20-19-12-11-17(14-21(19)28(27-20)18-9-4-3-5-10-18)26-23(29)16-8-6-7-15(13-16)22(24)25/h3-14H,2H2,1H3,(H3,24,25)(H,26,29)
InChIKeyHMHONCLSBVJWLY-UHFFFAOYSA-N
XLogP4.12
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide?
The IUPAC name of 3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide (CID 56670166) is 3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide.
What is the SMILES notation for 3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide?
The canonical SMILES for 3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide is [H]/N=C(\N)c1cccc(C(=O)Nc2ccc3c(CC)nn(-c4ccccc4)c3c2)c1.
What is the InChIKey of 3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide?
The InChIKey is HMHONCLSBVJWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-2-20-19-12-11-17(14-21(19)28(27-20)18-9-4-3-5-10-18)26-23(29)16-8-6-7-15(13-16)22(24)25/h3-14H,2H2,1H3,(H3,24,25)(H,26,29).
What are the key properties of 3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide?
3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide has a molecular weight of 383.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide is sourced from PubChem (CID 56670166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).