N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide

C17H15ClN4O2 — CID 27449168

IUPACN'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide
SMILESO=C(CCc1nc2ccccc2[nH]1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O2/c18-12-7-5-11(6-8-12)17(24)22-21-16(23)10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,19,20)(H,21,23)(H,22,24)
InChIKeyFQMXTZZCOOXKGN-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.61
Rot. Bonds4

About N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide

N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide (PubChem CID 27449168) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide
PubChem CID27449168
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide
SMILESO=C(CCc1nc2ccccc2[nH]1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O2/c18-12-7-5-11(6-8-12)17(24)22-21-16(23)10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,19,20)(H,21,23)(H,22,24)
InChIKeyFQMXTZZCOOXKGN-UHFFFAOYSA-N
XLogP2.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135767696
ethyl N-[3-(1H-benzimidazol-2-yl)propanoylamino]carbamate
CID 43042112
3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135915051
1H-benzimidazol-2-ylmethyl 4-[(4-chlorobenzoyl)amino]butanoate
CID 4884043
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 17449230
N-[(2S)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25339429
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N'-[3-(1H-benzimidazol-2-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 27450251
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide
CID 112815362
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(4-phenylbutanoyl)benzohydrazide
CID 46472312

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide (CID 27449168) is N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide is O=C(CCc1nc2ccccc2[nH]1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide?
The InChIKey is FQMXTZZCOOXKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-12-7-5-11(6-8-12)17(24)22-21-16(23)10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,19,20)(H,21,23)(H,22,24).
What are the key properties of N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide?
N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide has a molecular weight of 342.79 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide is sourced from PubChem (CID 27449168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).