N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C22H16ClF3N4O2 — CID 59515640

IUPACN-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cccc2[nH]c(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)nc12
InChIInChI=1S/C22H16ClF3N4O2/c1-11-13(7-9-18(27-11)22(24,25)26)21(31)28-12-6-8-15(23)14(10-12)20-29-16-4-3-5-17(32-2)19(16)30-20/h3-10H,1-2H3,(H,28,31)(H,29,30)
InChIKeyMVNRQQYMGYZALZ-UHFFFAOYSA-N
MW460.84 g/mol
LogP5.87
Rot. Bonds4

About N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 59515640) has the molecular formula C22H16ClF3N4O2 and a molecular weight of 460.84 g/mol. Its IUPAC name is N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID59515640
Molecular FormulaC22H16ClF3N4O2
Molecular Weight460.84 g/mol
Exact Mass460.09
IUPAC NameN-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cccc2[nH]c(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)nc12
InChIInChI=1S/C22H16ClF3N4O2/c1-11-13(7-9-18(27-11)22(24,25)26)21(31)28-12-6-8-15(23)14(10-12)20-29-16-4-3-5-17(32-2)19(16)30-20/h3-10H,1-2H3,(H,28,31)(H,29,30)
InChIKeyMVNRQQYMGYZALZ-UHFFFAOYSA-N
XLogP5.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.84
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11502886
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90403576
N-(3-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31853978
N-(3-acetyl-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69235352
N-[4-chloro-3-[6-[5-(hydroxyamino)-3-methyl-5-oxopentoxy]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 130233444
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730636
N-(4-chloro-3-pyrazol-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 45485749
N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone
CID 161208302
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 86603991
N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730638
N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine
CID 158390099

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 59515640) is N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is COc1cccc2[nH]c(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)nc12.
What is the InChIKey of N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MVNRQQYMGYZALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O2/c1-11-13(7-9-18(27-11)22(24,25)26)21(31)28-12-6-8-15(23)14(10-12)20-29-16-4-3-5-17(32-2)19(16)30-20/h3-10H,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 460.84 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59515640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).