2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide

C18H17ClN4O — CID 9121198

IUPAC2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(=O)Cn1cnc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O/c1-2-15(13-7-9-14(19)10-8-13)21-22-18(24)11-23-12-20-16-5-3-4-6-17(16)23/h3-10,12H,2,11H2,1H3,(H,22,24)/b21-15-
InChIKeyDYCYVOSHPWAABG-QNGOZBTKSA-N
MW340.81 g/mol
LogP3.62
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide

2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide (PubChem CID 9121198) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
PubChem CID9121198
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(=O)Cn1cnc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O/c1-2-15(13-7-9-14(19)10-8-13)21-22-18(24)11-23-12-20-16-5-3-4-6-17(16)23/h3-10,12H,2,11H2,1H3,(H,22,24)/b21-15-
InChIKeyDYCYVOSHPWAABG-QNGOZBTKSA-N
XLogP3.62
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
CID 17086275
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 9121106
2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6523910
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 728512
2-(benzimidazol-1-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5395231
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9121210
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide
CID 9121111
2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 8976215
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102
2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135816002

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide (CID 9121198) is 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide is CC/C(=N/NC(=O)Cn1cnc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide?
The InChIKey is DYCYVOSHPWAABG-QNGOZBTKSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-2-15(13-7-9-14(19)10-8-13)21-22-18(24)11-23-12-20-16-5-3-4-6-17(16)23/h3-10,12H,2,11H2,1H3,(H,22,24)/b21-15-.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide is sourced from PubChem (CID 9121198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).