1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide

C24H27F3N6O — CID 164558347

IUPAC1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide
SMILESCC1=NC2C(C(=O)NC3CCC(Nc4cccc5nc(C(F)(F)F)cn45)CC3)=CC=CC2N1C
InChIInChI=1S/C24H27F3N6O/c1-14-28-22-17(5-3-6-18(22)32(14)2)23(34)30-16-11-9-15(10-12-16)29-20-7-4-8-21-31-19(13-33(20)21)24(25,26)27/h3-8,13,15-16,18,22,29H,9-12H2,1-2H3,(H,30,34)
InChIKeyIFDOBRHYUYEQTF-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.79
Rot. Bonds4

About 1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide

1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide (PubChem CID 164558347) has the molecular formula C24H27F3N6O and a molecular weight of 472.52 g/mol. Its IUPAC name is 1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide
PubChem CID164558347
Molecular FormulaC24H27F3N6O
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC Name1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide
SMILESCC1=NC2C(C(=O)NC3CCC(Nc4cccc5nc(C(F)(F)F)cn45)CC3)=CC=CC2N1C
InChIInChI=1S/C24H27F3N6O/c1-14-28-22-17(5-3-6-18(22)32(14)2)23(34)30-16-11-9-15(10-12-16)29-20-7-4-8-21-31-19(13-33(20)21)24(25,26)27/h3-8,13,15-16,18,22,29H,9-12H2,1-2H3,(H,30,34)
InChIKeyIFDOBRHYUYEQTF-UHFFFAOYSA-N
XLogP3.79
TPSA74.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558189
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 164558237
4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
CID 166008993
2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558229
2-(propan-2-ylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558337
4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009130
methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate
CID 168782772
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
CID 164558388
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indole-3-carboxamide
CID 166009171
2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide
CID 177065630
4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide
CID 166009045

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide?
The IUPAC name of 1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide (CID 164558347) is 1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide is CC1=NC2C(C(=O)NC3CCC(Nc4cccc5nc(C(F)(F)F)cn45)CC3)=CC=CC2N1C.
What is the InChIKey of 1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide?
The InChIKey is IFDOBRHYUYEQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O/c1-14-28-22-17(5-3-6-18(22)32(14)2)23(34)30-16-11-9-15(10-12-16)29-20-7-4-8-21-31-19(13-33(20)21)24(25,26)27/h3-8,13,15-16,18,22,29H,9-12H2,1-2H3,(H,30,34).
What are the key properties of 1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide?
1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3a,7a-dihydrobenzimidazole-4-carboxamide is sourced from PubChem (CID 164558347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).