6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide

C16H14ClN5O2 — CID 4877667

IUPAC6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide
SMILESCn1c(CC(=O)NNC(=O)c2ccc(Cl)nc2)nc2ccccc21
InChIInChI=1S/C16H14ClN5O2/c1-22-12-5-3-2-4-11(12)19-14(22)8-15(23)20-21-16(24)10-6-7-13(17)18-9-10/h2-7,9H,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyQPRILDPJZRNSFG-UHFFFAOYSA-N
MW343.77 g/mol
LogP1.63
Rot. Bonds3

About 6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide

6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide (PubChem CID 4877667) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide
PubChem CID4877667
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide
SMILESCn1c(CC(=O)NNC(=O)c2ccc(Cl)nc2)nc2ccccc21
InChIInChI=1S/C16H14ClN5O2/c1-22-12-5-3-2-4-11(12)19-14(22)8-15(23)20-21-16(24)10-6-7-13(17)18-9-10/h2-7,9H,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyQPRILDPJZRNSFG-UHFFFAOYSA-N
XLogP1.63
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of 6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide (CID 4877667) is 6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for 6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide is Cn1c(CC(=O)NNC(=O)c2ccc(Cl)nc2)nc2ccccc21.
What is the InChIKey of 6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide?
The InChIKey is QPRILDPJZRNSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-22-12-5-3-2-4-11(12)19-14(22)8-15(23)20-21-16(24)10-6-7-13(17)18-9-10/h2-7,9H,8H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide?
6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide has a molecular weight of 343.77 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 4877667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).