N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide

C22H15ClN4O3 — CID 5387521

IUPACN-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide
SMILESO=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1
InChIInChI=1S/C22H15ClN4O3/c23-16-8-11-18-19(13-16)25-21(24-18)20(26-22(28)15-4-2-1-3-5-15)12-14-6-9-17(10-7-14)27(29)30/h1-13H,(H,24,25)(H,26,28)/b20-12-
InChIKeyBAIPJRVPJMGIOF-NDENLUEZSA-N
MW418.84 g/mol
LogP5.05
Rot. Bonds5

About N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide

N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide (PubChem CID 5387521) has the molecular formula C22H15ClN4O3 and a molecular weight of 418.84 g/mol. Its IUPAC name is N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide
PubChem CID5387521
Molecular FormulaC22H15ClN4O3
Molecular Weight418.84 g/mol
Exact Mass418.08
IUPAC NameN-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide
SMILESO=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1
InChIInChI=1S/C22H15ClN4O3/c23-16-8-11-18-19(13-16)25-21(24-18)20(26-22(28)15-4-2-1-3-5-15)12-14-6-9-17(10-7-14)27(29)30/h1-13H,(H,24,25)(H,26,28)/b20-12-
InChIKeyBAIPJRVPJMGIOF-NDENLUEZSA-N
XLogP5.05
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.84
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide
CID 134110139
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)ethenyl]benzamide
CID 5388012
2-[(Z)-1-benzamido-2-[3-[hydroxy(oxido)azaniumyl]phenyl]ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide
CID 20831262
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide
CID 5334230
N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide
CID 2731679
N-[1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide
CID 2860636
2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide
CID 20831265
N-[(Z)-3-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]anilino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22787716
[2-(4-nitrophenyl)-2-oxoethyl] 2-benzamido-3-(4-chlorophenyl)prop-2-enoate
CID 2885223
3-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890147
4-nitro-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890144
N-[3-(naphthalen-2-ylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1336158

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide?
The IUPAC name of N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide (CID 5387521) is N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide.
What is the SMILES notation for N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide?
The canonical SMILES for N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide is O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1.
What is the InChIKey of N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide?
The InChIKey is BAIPJRVPJMGIOF-NDENLUEZSA-N. The full InChI is InChI=1S/C22H15ClN4O3/c23-16-8-11-18-19(13-16)25-21(24-18)20(26-22(28)15-4-2-1-3-5-15)12-14-6-9-17(10-7-14)27(29)30/h1-13H,(H,24,25)(H,26,28)/b20-12-.
What are the key properties of N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide?
N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide has a molecular weight of 418.84 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide is sourced from PubChem (CID 5387521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).