N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide

C20H16N4O3 — CID 177373752

IUPACN-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)/C(=C/c2ncc[nH]2)C(=O)N3)cc1
InChIInChI=1S/C20H16N4O3/c1-27-14-5-2-12(3-6-14)19(25)23-13-4-7-17-15(10-13)16(20(26)24-17)11-18-21-8-9-22-18/h2-11H,1H3,(H,21,22)(H,23,25)(H,24,26)/b16-11-
InChIKeyFTJVOMMSQFAGDI-WJDWOHSUSA-N
MW360.37 g/mol
LogP3.16
Rot. Bonds4

About N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide

N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide (PubChem CID 177373752) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide
PubChem CID177373752
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)/C(=C/c2ncc[nH]2)C(=O)N3)cc1
InChIInChI=1S/C20H16N4O3/c1-27-14-5-2-12(3-6-14)19(25)23-13-4-7-17-15(10-13)16(20(26)24-17)11-18-21-8-9-22-18/h2-11H,1H3,(H,21,22)(H,23,25)(H,24,26)/b16-11-
InChIKeyFTJVOMMSQFAGDI-WJDWOHSUSA-N
XLogP3.16
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide?
The IUPAC name of N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide (CID 177373752) is N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)/C(=C/c2ncc[nH]2)C(=O)N3)cc1.
What is the InChIKey of N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide?
The InChIKey is FTJVOMMSQFAGDI-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-27-14-5-2-12(3-6-14)19(25)23-13-4-7-17-15(10-13)16(20(26)24-17)11-18-21-8-9-22-18/h2-11H,1H3,(H,21,22)(H,23,25)(H,24,26)/b16-11-.
What are the key properties of N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide?
N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide has a molecular weight of 360.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-4-methoxybenzamide is sourced from PubChem (CID 177373752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).