N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide

C15H9Cl2F3N4O2 — CID 18316653

IUPACN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C(F)(F)F)[nH]c12
InChIInChI=1S/C15H9Cl2F3N4O2/c1-26-9-3-2-6(10-12(9)24-14(23-10)15(18,19)20)13(25)22-11-7(16)4-21-5-8(11)17/h2-5H,1H3,(H,23,24)(H,21,22,25)
InChIKeyNKESBLJNJIVASL-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.54
Rot. Bonds3

About N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide

N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 18316653) has the molecular formula C15H9Cl2F3N4O2 and a molecular weight of 405.16 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
PubChem CID18316653
Molecular FormulaC15H9Cl2F3N4O2
Molecular Weight405.16 g/mol
Exact Mass404.01
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C(F)(F)F)[nH]c12
InChIInChI=1S/C15H9Cl2F3N4O2/c1-26-9-3-2-6(10-12(9)24-14(23-10)15(18,19)20)13(25)22-11-7(16)4-21-5-8(11)17/h2-5H,1H3,(H,23,24)(H,21,22,25)
InChIKeyNKESBLJNJIVASL-UHFFFAOYSA-N
XLogP4.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
CID 22663188
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 22663199
2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
CID 22663201
2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
CID 22663228
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 22663297
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(2-phenylethyl)-1H-benzimidazole-4-carboxamide
CID 22663307
2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide
CID 22663362
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-methyl-1H-benzimidazole-4-carboxamide
CID 22663370
N-(3,5-Dichloro-4-pyridinyl)-1-methyl-2-(trifluoromethyl)-4-methoxy-1H-benzimidazole-7-carboxamide
CID 44288639
2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide
CID 44288640
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 44325316
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 44325479

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide (CID 18316653) is N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C(F)(F)F)[nH]c12.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is NKESBLJNJIVASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N4O2/c1-26-9-3-2-6(10-12(9)24-14(23-10)15(18,19)20)13(25)22-11-7(16)4-21-5-8(11)17/h2-5H,1H3,(H,23,24)(H,21,22,25).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 405.16 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18316653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).