4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide

C16H15ClN4O2 — CID 142463361

IUPAC4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide
SMILESCn1c(NCc2ccc(C(=O)NO)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H15ClN4O2/c1-21-14-7-6-12(17)8-13(14)19-16(21)18-9-10-2-4-11(5-3-10)15(22)20-23/h2-8,23H,9H2,1H3,(H,18,19)(H,20,22)
InChIKeyLPGFAUCFCYZFBV-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.96
Rot. Bonds4

About 4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide

4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide (PubChem CID 142463361) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide
PubChem CID142463361
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide
SMILESCn1c(NCc2ccc(C(=O)NO)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H15ClN4O2/c1-21-14-7-6-12(17)8-13(14)19-16(21)18-9-10-2-4-11(5-3-10)15(22)20-23/h2-8,23H,9H2,1H3,(H,18,19)(H,20,22)
InChIKeyLPGFAUCFCYZFBV-UHFFFAOYSA-N
XLogP2.96
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide (CID 142463361) is 4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide is Cn1c(NCc2ccc(C(=O)NO)cc2)nc2cc(Cl)ccc21.
What is the InChIKey of 4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide?
The InChIKey is LPGFAUCFCYZFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-21-14-7-6-12(17)8-13(14)19-16(21)18-9-10-2-4-11(5-3-10)15(22)20-23/h2-8,23H,9H2,1H3,(H,18,19)(H,20,22).
What are the key properties of 4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide?
4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide has a molecular weight of 330.78 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 142463361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).