1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone

C26H32F2N4O2S — CID 147034660

IUPAC1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3ccc4nc[nH]c4c3)CC1)C2
InChIInChI=1S/C26H32F2N4O2S/c1-26(27,28)15-34-25-31-22-14-32(11-9-24(22)35-25)10-8-17-2-4-18(5-3-17)12-23(33)19-6-7-20-21(13-19)30-16-29-20/h6-7,13,16-18H,2-5,8-12,14-15H2,1H3,(H,29,30)
InChIKeyAYGNQCFJPCSTFA-UHFFFAOYSA-N
MW502.63 g/mol
LogP5.88
Rot. Bonds9

About 1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone

1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone (PubChem CID 147034660) has the molecular formula C26H32F2N4O2S and a molecular weight of 502.63 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone
PubChem CID147034660
Molecular FormulaC26H32F2N4O2S
Molecular Weight502.63 g/mol
Exact Mass502.22
IUPAC Name1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3ccc4nc[nH]c4c3)CC1)C2
InChIInChI=1S/C26H32F2N4O2S/c1-26(27,28)15-34-25-31-22-14-32(11-9-24(22)35-25)10-8-17-2-4-18(5-3-17)12-23(33)19-6-7-20-21(13-19)30-16-29-20/h6-7,13,16-18H,2-5,8-12,14-15H2,1H3,(H,29,30)
InChIKeyAYGNQCFJPCSTFA-UHFFFAOYSA-N
XLogP5.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.63
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone with MolForge

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Related Compounds

N-(4-methylthiazol-2-yl)-1H-benzo[d]imidazole-5-carboxamide
CID 2079789
2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 25069930
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(7H-purin-6-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 25070571
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 25070574
N-(6-Benzoyl-1H-benzimidazol-2-yl)-2-[1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]-4-thiazolecarboxamide
CID 25070901
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 25070902
N-(1,3-thiazol-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 25192358
1-[(2R)-4-[4-(6-acetyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89725963
phenyl-(2-thiazol-4-yl-1H-benzoimidazol-5-yl)-methanone
CID 11587570
2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)quinoxaline-6-carboxamide
CID 118463821
N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17493268
N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 25510950

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone (CID 147034660) is 1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone is CC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3ccc4nc[nH]c4c3)CC1)C2.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone?
The InChIKey is AYGNQCFJPCSTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O2S/c1-26(27,28)15-34-25-31-22-14-32(11-9-24(22)35-25)10-8-17-2-4-18(5-3-17)12-23(33)19-6-7-20-21(13-19)30-16-29-20/h6-7,13,16-18H,2-5,8-12,14-15H2,1H3,(H,29,30).
What are the key properties of 1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone?
1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone has a molecular weight of 502.63 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone is sourced from PubChem (CID 147034660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).