N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C24H22F2N4O2 — CID 25341725

IUPACN-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCN(Cc1nc2ccccc2n1C(F)F)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C24H22F2N4O2/c1-29(15-21-28-19-11-4-5-12-20(19)30(21)24(25)26)23(32)14-27-22(31)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-12,24H,13-15H2,1H3,(H,27,31)
InChIKeyUYLRUQUXKOVWBK-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.90
Rot. Bonds7

About N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 25341725) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID25341725
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC NameN-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCN(Cc1nc2ccccc2n1C(F)F)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C24H22F2N4O2/c1-29(15-21-28-19-11-4-5-12-20(19)30(21)24(25)26)23(32)14-27-22(31)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-12,24H,13-15H2,1H3,(H,27,31)
InChIKeyUYLRUQUXKOVWBK-UHFFFAOYSA-N
XLogP3.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide
CID 39975772
N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9020477
4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
CID 119172823
4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide
CID 31403750
N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 86832135
N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968882
N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 70751619
N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 60579651
(3S)-5-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 37288223
N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55437775
N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide
CID 78833865
N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16971531

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 25341725) is N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CN(Cc1nc2ccccc2n1C(F)F)C(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is UYLRUQUXKOVWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-29(15-21-28-19-11-4-5-12-20(19)30(21)24(25)26)23(32)14-27-22(31)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-12,24H,13-15H2,1H3,(H,27,31).
What are the key properties of N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 436.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 25341725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).