N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide

C24H26ClN3O2 — CID 143486804

IUPACN-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide
SMILESC/C=C\C=C(\C)C(C)OCC(=O)Nc1ccc(-c2nc3ccc(Cl)cc3n2C)cc1
InChIInChI=1S/C24H26ClN3O2/c1-5-6-7-16(2)17(3)30-15-23(29)26-20-11-8-18(9-12-20)24-27-21-13-10-19(25)14-22(21)28(24)4/h5-14,17H,15H2,1-4H3,(H,26,29)/b6-5-,16-7-
InChIKeyWBXXDTCPXIPXTQ-MLCADPBQSA-N
MW423.94 g/mol
LogP5.76
Rot. Bonds7

About N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide

N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide (PubChem CID 143486804) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide
PubChem CID143486804
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC NameN-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide
SMILESC/C=C\C=C(\C)C(C)OCC(=O)Nc1ccc(-c2nc3ccc(Cl)cc3n2C)cc1
InChIInChI=1S/C24H26ClN3O2/c1-5-6-7-16(2)17(3)30-15-23(29)26-20-11-8-18(9-12-20)24-27-21-13-10-19(25)14-22(21)28(24)4/h5-14,17H,15H2,1-4H3,(H,26,29)/b6-5-,16-7-
InChIKeyWBXXDTCPXIPXTQ-MLCADPBQSA-N
XLogP5.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-methyl-2-phenylbenzimidazole
CID 12738431
ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate
CID 3611698
(2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid
CID 7033387
2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide
CID 119822806
[2-(4-acetamidoanilino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7867860
4-(5-chlorothiophen-2-yl)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]-4-oxobutanamide
CID 56527841
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 23764450
2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride
CID 119822813
[2-methyl-1-[4-(1-methylbenzimidazol-2-yl)anilino]-1-oxopropan-2-yl] acetate
CID 99788360
N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2641213
4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline
CID 104698561
4-(6-chloro-1-methylbenzimidazol-2-yl)-2-nitroaniline
CID 115472501

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide?
The IUPAC name of N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide (CID 143486804) is N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide.
What is the SMILES notation for N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide?
The canonical SMILES for N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide is C/C=C\C=C(\C)C(C)OCC(=O)Nc1ccc(-c2nc3ccc(Cl)cc3n2C)cc1.
What is the InChIKey of N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide?
The InChIKey is WBXXDTCPXIPXTQ-MLCADPBQSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-5-6-7-16(2)17(3)30-15-23(29)26-20-11-8-18(9-12-20)24-27-21-13-10-19(25)14-22(21)28(24)4/h5-14,17H,15H2,1-4H3,(H,26,29)/b6-5-,16-7-.
What are the key properties of N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide?
N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide has a molecular weight of 423.94 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide is sourced from PubChem (CID 143486804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).