N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide

C22H17ClN4O2 — CID 55333924

IUPACN'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide
SMILESCc1nc2cc(C(=O)NNC(=O)c3ccccc3Cl)ccc2n1-c1ccccc1
InChIInChI=1S/C22H17ClN4O2/c1-14-24-19-13-15(11-12-20(19)27(14)16-7-3-2-4-8-16)21(28)25-26-22(29)17-9-5-6-10-18(17)23/h2-13H,1H3,(H,25,28)(H,26,29)
InChIKeyATFZHQZZVNFKLG-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.06
Rot. Bonds3

About N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide

N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide (PubChem CID 55333924) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide
PubChem CID55333924
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC NameN'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide
SMILESCc1nc2cc(C(=O)NNC(=O)c3ccccc3Cl)ccc2n1-c1ccccc1
InChIInChI=1S/C22H17ClN4O2/c1-14-24-19-13-15(11-12-20(19)27(14)16-7-3-2-4-8-16)21(28)25-26-22(29)17-9-5-6-10-18(17)23/h2-13H,1H3,(H,25,28)(H,26,29)
InChIKeyATFZHQZZVNFKLG-UHFFFAOYSA-N
XLogP4.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide (CID 55333924) is N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide is Cc1nc2cc(C(=O)NNC(=O)c3ccccc3Cl)ccc2n1-c1ccccc1.
What is the InChIKey of N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide?
The InChIKey is ATFZHQZZVNFKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c1-14-24-19-13-15(11-12-20(19)27(14)16-7-3-2-4-8-16)21(28)25-26-22(29)17-9-5-6-10-18(17)23/h2-13H,1H3,(H,25,28)(H,26,29).
What are the key properties of N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide?
N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide has a molecular weight of 404.86 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide is sourced from PubChem (CID 55333924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).