2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

C23H24ClF3N4O — CID 59186810

IUPAC2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCn1c(NCC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)nc2ccccc21
InChIInChI=1S/C23H24ClF3N4O/c1-31-20-5-3-2-4-19(20)30-22(31)28-13-14-6-9-16(10-7-14)29-21(32)17-12-15(23(25,26)27)8-11-18(17)24/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,28,30)(H,29,32)
InChIKeyLGYPFTSKWIKQCJ-UHFFFAOYSA-N
MW464.92 g/mol
LogP5.65
Rot. Bonds5

About 2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 59186810) has the molecular formula C23H24ClF3N4O and a molecular weight of 464.92 g/mol. Its IUPAC name is 2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID59186810
Molecular FormulaC23H24ClF3N4O
Molecular Weight464.92 g/mol
Exact Mass464.16
IUPAC Name2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCn1c(NCC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)nc2ccccc21
InChIInChI=1S/C23H24ClF3N4O/c1-31-20-5-3-2-4-19(20)30-22(31)28-13-14-6-9-16(10-7-14)29-21(32)17-12-15(23(25,26)27)8-11-18(17)24/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,28,30)(H,29,32)
InChIKeyLGYPFTSKWIKQCJ-UHFFFAOYSA-N
XLogP5.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.92
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865
2-chloro-5-(trifluoromethyl)-N-[4-[[[5-(trifluoromethyl)-3-pyridinyl]amino]methyl]cyclohexyl]benzamide
CID 58317319
2-chloro-N-[4-[[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317364
2-chloro-N-[4-[(2H-pyrrol-5-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317484
2-chloro-N-[4-[[[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186857
2-chloro-N-[4-[(4-ethoxyanilino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44815772
2-chloro-N-[4-[[[5-chloro-6-(trideuteriomethyl)-3-pyridinyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317272
2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide
CID 88911585
2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44814945
2-chloro-N-[4-[[(3-propyl-2H-pyrrol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317406
fluoro 2-[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]-1,1-difluoroethanesulfonate
CID 87301295
2-chloro-N-[4-[(3,4-dimethylpyrazol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 53358855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 59186810) is 2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is Cn1c(NCC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is LGYPFTSKWIKQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O/c1-31-20-5-3-2-4-19(20)30-22(31)28-13-14-6-9-16(10-7-14)29-21(32)17-12-15(23(25,26)27)8-11-18(17)24/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,28,30)(H,29,32).
What are the key properties of 2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 464.92 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59186810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).