N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide

C22H15Cl3FN3O — CID 58562458

IUPACN-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide
SMILESCc1cc2[nH]c(Cc3c(Cl)cccc3Cl)nc2cc1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C22H15Cl3FN3O/c1-11-7-19-20(29-21(28-19)10-14-15(23)3-2-4-16(14)24)9-13(11)22(30)27-12-5-6-17(25)18(26)8-12/h2-9H,10H2,1H3,(H,27,30)(H,28,29)
InChIKeyCOQLFSQAXUBZMQ-UHFFFAOYSA-N
MW462.74 g/mol
LogP6.81
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide

N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide (PubChem CID 58562458) has the molecular formula C22H15Cl3FN3O and a molecular weight of 462.74 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide
PubChem CID58562458
Molecular FormulaC22H15Cl3FN3O
Molecular Weight462.74 g/mol
Exact Mass461.03
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide
SMILESCc1cc2[nH]c(Cc3c(Cl)cccc3Cl)nc2cc1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C22H15Cl3FN3O/c1-11-7-19-20(29-21(28-19)10-14-15(23)3-2-4-16(14)24)9-13(11)22(30)27-12-5-6-17(25)18(26)8-12/h2-9H,10H2,1H3,(H,27,30)(H,28,29)
InChIKeyCOQLFSQAXUBZMQ-UHFFFAOYSA-N
XLogP6.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.74
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562209
N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562173
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562141
N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 45137009
N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562324
2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328366
N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide
CID 47227866
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069465
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzamide
CID 62177542
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 60587521
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide (CID 58562458) is N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide is Cc1cc2[nH]c(Cc3c(Cl)cccc3Cl)nc2cc1C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide?
The InChIKey is COQLFSQAXUBZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3FN3O/c1-11-7-19-20(29-21(28-19)10-14-15(23)3-2-4-16(14)24)9-13(11)22(30)27-12-5-6-17(25)18(26)8-12/h2-9H,10H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide?
N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide has a molecular weight of 462.74 g/mol, XLogP of 6.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58562458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).