4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide

C27H28N4O3 — CID 71525926

IUPAC4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide
SMILESCc1nccn1CC1C(=O)c2c(n(Cc3ccc(C(=O)NO)cc3)c3ccccc23)CC1(C)C
InChIInChI=1S/C27H28N4O3/c1-17-28-12-13-30(17)16-21-25(32)24-20-6-4-5-7-22(20)31(23(24)14-27(21,2)3)15-18-8-10-19(11-9-18)26(33)29-34/h4-13,21,34H,14-16H2,1-3H3,(H,29,33)
InChIKeyGZVWWUFJCWQXJJ-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.39
Rot. Bonds5

About 4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide

4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide (PubChem CID 71525926) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide
PubChem CID71525926
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide
SMILESCc1nccn1CC1C(=O)c2c(n(Cc3ccc(C(=O)NO)cc3)c3ccccc23)CC1(C)C
InChIInChI=1S/C27H28N4O3/c1-17-28-12-13-30(17)16-21-25(32)24-20-6-4-5-7-22(20)31(23(24)14-27(21,2)3)15-18-8-10-19(11-9-18)26(33)29-34/h4-13,21,34H,14-16H2,1-3H3,(H,29,33)
InChIKeyGZVWWUFJCWQXJJ-UHFFFAOYSA-N
XLogP4.39
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide (CID 71525926) is 4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide is Cc1nccn1CC1C(=O)c2c(n(Cc3ccc(C(=O)NO)cc3)c3ccccc23)CC1(C)C.
What is the InChIKey of 4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide?
The InChIKey is GZVWWUFJCWQXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-17-28-12-13-30(17)16-21-25(32)24-20-6-4-5-7-22(20)31(23(24)14-27(21,2)3)15-18-8-10-19(11-9-18)26(33)29-34/h4-13,21,34H,14-16H2,1-3H3,(H,29,33).
What are the key properties of 4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide?
4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide has a molecular weight of 456.55 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-dimethyl-3-[(2-methylimidazol-1-yl)methyl]-4-oxo-1,3-dihydrocarbazol-9-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 71525926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).