4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide

C19H15F2N3O2S — CID 18206147

IUPAC4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C19H15F2N3O2S/c1-24-11-10-22-17(24)16(25)12-2-6-14(7-3-12)23-18(26)13-4-8-15(9-5-13)27-19(20)21/h2-11,19H,1H3,(H,23,26)
InChIKeyDXDLVSMTULBZQN-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.22
Rot. Bonds6

About 4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide

4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide (PubChem CID 18206147) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
PubChem CID18206147
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Name4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C19H15F2N3O2S/c1-24-11-10-22-17(24)16(25)12-2-6-14(7-3-12)23-18(26)13-4-8-15(9-5-13)27-19(20)21/h2-11,19H,1H3,(H,23,26)
InChIKeyDXDLVSMTULBZQN-UHFFFAOYSA-N
XLogP4.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 17427516
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
4-(1,3-dithian-2-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 22830690
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792
2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 18192837
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide
CID 55531977
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26908479
7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17417131

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide (CID 18206147) is 4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide is Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The InChIKey is DXDLVSMTULBZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c1-24-11-10-22-17(24)16(25)12-2-6-14(7-3-12)23-18(26)13-4-8-15(9-5-13)27-19(20)21/h2-11,19H,1H3,(H,23,26).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide has a molecular weight of 387.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide is sourced from PubChem (CID 18206147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).