2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide

C26H25ClN4O3 — CID 17031504

IUPAC2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1cccc(NC(=O)Cn2c(CCCNC(=O)c3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C26H25ClN4O3/c1-34-19-9-6-8-18(16-19)29-25(32)17-31-23-13-5-4-12-22(23)30-24(31)14-7-15-28-26(33)20-10-2-3-11-21(20)27/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,28,33)(H,29,32)
InChIKeyHFGMBCDXDFPWPT-UHFFFAOYSA-N
MW476.96 g/mol
LogP4.70
Rot. Bonds9

About 2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide

2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 17031504) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is 2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID17031504
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC Name2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1cccc(NC(=O)Cn2c(CCCNC(=O)c3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C26H25ClN4O3/c1-34-19-9-6-8-18(16-19)29-25(32)17-31-23-13-5-4-12-22(23)30-24(31)14-7-15-28-26(33)20-10-2-3-11-21(20)27/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,28,33)(H,29,32)
InChIKeyHFGMBCDXDFPWPT-UHFFFAOYSA-N
XLogP4.70
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031501
N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030625
2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031451
2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030763
N-(3-chlorophenyl)-2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 17031158
2-chloro-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989843
N-[3-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031470
N-[3-[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031461
2-methyl-N-[3-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031456
N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031599
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17031168
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (CID 17031504) is 2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is COc1cccc(NC(=O)Cn2c(CCCNC(=O)c3ccccc3Cl)nc3ccccc32)c1.
What is the InChIKey of 2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is HFGMBCDXDFPWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-34-19-9-6-8-18(16-19)29-25(32)17-31-23-13-5-4-12-22(23)30-24(31)14-7-15-28-26(33)20-10-2-3-11-21(20)27/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,28,33)(H,29,32).
What are the key properties of 2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 476.96 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 17031504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).