N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide

C18H14ClF3N4O — CID 167150769

IUPACN-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide
SMILESCc1c(-c2ccc(C(F)(F)F)nc2N(C=O)c2ccccc2Cl)ncn1C
InChIInChI=1S/C18H14ClF3N4O/c1-11-16(23-9-25(11)2)12-7-8-15(18(20,21)22)24-17(12)26(10-27)14-6-4-3-5-13(14)19/h3-10H,1-2H3
InChIKeyPKCBTZZWNOMEMK-UHFFFAOYSA-N
MW394.78 g/mol
LogP4.76
Rot. Bonds4

About N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide

N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide (PubChem CID 167150769) has the molecular formula C18H14ClF3N4O and a molecular weight of 394.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide
PubChem CID167150769
Molecular FormulaC18H14ClF3N4O
Molecular Weight394.78 g/mol
Exact Mass394.08
IUPAC NameN-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide
SMILESCc1c(-c2ccc(C(F)(F)F)nc2N(C=O)c2ccccc2Cl)ncn1C
InChIInChI=1S/C18H14ClF3N4O/c1-11-16(23-9-25(11)2)12-7-8-15(18(20,21)22)24-17(12)26(10-27)14-6-4-3-5-13(14)19/h3-10H,1-2H3
InChIKeyPKCBTZZWNOMEMK-UHFFFAOYSA-N
XLogP4.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-N-[3-[5-methyl-3-(2-methylsulfanyloxyethyl)imidazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]formamide
CID 167150733
2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 174269915
N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide
CID 154933636
3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
CID 133058620
5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine
CID 172741540
2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 28875322
N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]formamide
CID 90972789
5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 164562862
4-chloro-1,5-dimethylimidazole
CID 59999519
1-methyl-4-phenyl-5-(trifluoromethyl)imidazole
CID 14024804
4-(2-chlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 134098147
2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 11482301

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide?
The IUPAC name of N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide (CID 167150769) is N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide is Cc1c(-c2ccc(C(F)(F)F)nc2N(C=O)c2ccccc2Cl)ncn1C.
What is the InChIKey of N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide?
The InChIKey is PKCBTZZWNOMEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O/c1-11-16(23-9-25(11)2)12-7-8-15(18(20,21)22)24-17(12)26(10-27)14-6-4-3-5-13(14)19/h3-10H,1-2H3.
What are the key properties of N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide?
N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide has a molecular weight of 394.78 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide is sourced from PubChem (CID 167150769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).