N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide

C23H20Cl3N5O2 — CID 58562336

IUPACN-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide
SMILESCOCCCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cc(Cl)ccn3)ccc21
InChIInChI=1S/C23H20Cl3N5O2/c1-33-11-3-10-31-19-7-6-14(22(32)29-20-13-15(24)8-9-27-20)12-18(19)28-23(31)30-21-16(25)4-2-5-17(21)26/h2,4-9,12-13H,3,10-11H2,1H3,(H,28,30)(H,27,29,32)
InChIKeyXVCOTTPZGSGBOS-UHFFFAOYSA-N
MW504.81 g/mol
LogP6.42
Rot. Bonds8

About N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide

N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide (PubChem CID 58562336) has the molecular formula C23H20Cl3N5O2 and a molecular weight of 504.81 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide
PubChem CID58562336
Molecular FormulaC23H20Cl3N5O2
Molecular Weight504.81 g/mol
Exact Mass503.07
IUPAC NameN-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide
SMILESCOCCCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cc(Cl)ccn3)ccc21
InChIInChI=1S/C23H20Cl3N5O2/c1-33-11-3-10-31-19-7-6-14(22(32)29-20-13-15(24)8-9-27-20)12-18(19)28-23(31)30-21-16(25)4-2-5-17(21)26/h2,4-9,12-13H,3,10-11H2,1H3,(H,28,30)(H,27,29,32)
InChIKeyXVCOTTPZGSGBOS-UHFFFAOYSA-N
XLogP6.42
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.81
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide
CID 58562411
N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562138
3-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
CID 58742504
2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167135
2-(2,6-difluoroanilino)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 67229775
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
CID 58743010
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine
CID 143961942
2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxylate
CID 162200376
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide
CID 58562143

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide (CID 58562336) is N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide is COCCCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cc(Cl)ccn3)ccc21.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide?
The InChIKey is XVCOTTPZGSGBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3N5O2/c1-33-11-3-10-31-19-7-6-14(22(32)29-20-13-15(24)8-9-27-20)12-18(19)28-23(31)30-21-16(25)4-2-5-17(21)26/h2,4-9,12-13H,3,10-11H2,1H3,(H,28,30)(H,27,29,32).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide?
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide has a molecular weight of 504.81 g/mol, XLogP of 6.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 58562336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).