4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide

C23H23F3N6O — CID 166008993

IUPAC4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)NC3CCC(Nc4cccc5nc(C(F)(F)F)cn45)CC3)nc12
InChIInChI=1S/C23H23F3N6O/c1-13-4-2-5-16-20(13)31-21(29-16)22(33)28-15-10-8-14(9-11-15)27-18-6-3-7-19-30-17(12-32(18)19)23(24,25)26/h2-7,12,14-15,27H,8-11H2,1H3,(H,28,33)(H,29,31)
InChIKeySJGREUIIRYGOBD-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.69
Rot. Bonds4

About 4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide

4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide (PubChem CID 166008993) has the molecular formula C23H23F3N6O and a molecular weight of 456.47 g/mol. Its IUPAC name is 4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
PubChem CID166008993
Molecular FormulaC23H23F3N6O
Molecular Weight456.47 g/mol
Exact Mass456.19
IUPAC Name4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)NC3CCC(Nc4cccc5nc(C(F)(F)F)cn45)CC3)nc12
InChIInChI=1S/C23H23F3N6O/c1-13-4-2-5-16-20(13)31-21(29-16)22(33)28-15-10-8-14(9-11-15)27-18-6-3-7-19-30-17(12-32(18)19)23(24,25)26/h2-7,12,14-15,27H,8-11H2,1H3,(H,28,33)(H,29,31)
InChIKeySJGREUIIRYGOBD-UHFFFAOYSA-N
XLogP4.69
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of 4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide (CID 166008993) is 4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide is Cc1cccc2[nH]c(C(=O)NC3CCC(Nc4cccc5nc(C(F)(F)F)cn45)CC3)nc12.
What is the InChIKey of 4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is SJGREUIIRYGOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O/c1-13-4-2-5-16-20(13)31-21(29-16)22(33)28-15-10-8-14(9-11-15)27-18-6-3-7-19-30-17(12-32(18)19)23(24,25)26/h2-7,12,14-15,27H,8-11H2,1H3,(H,28,33)(H,29,31).
What are the key properties of 4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide?
4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 166008993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).