1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one

C26H28F3N5O — CID 130423883

IUPAC1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one
SMILESCc1c(CN2CCC(n3c(=O)n(C)c4ccccc43)CC2)nc(-c2ccc(C(F)(F)F)cc2)n1C
InChIInChI=1S/C26H28F3N5O/c1-17-21(30-24(31(17)2)18-8-10-19(11-9-18)26(27,28)29)16-33-14-12-20(13-15-33)34-23-7-5-4-6-22(23)32(3)25(34)35/h4-11,20H,12-16H2,1-3H3
InChIKeyCYIRHOADVQKFCW-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.90
Rot. Bonds4

About 1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one

1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one (PubChem CID 130423883) has the molecular formula C26H28F3N5O and a molecular weight of 483.54 g/mol. Its IUPAC name is 1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one
PubChem CID130423883
Molecular FormulaC26H28F3N5O
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC Name1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one
SMILESCc1c(CN2CCC(n3c(=O)n(C)c4ccccc43)CC2)nc(-c2ccc(C(F)(F)F)cc2)n1C
InChIInChI=1S/C26H28F3N5O/c1-17-21(30-24(31(17)2)18-8-10-19(11-9-18)26(27,28)29)16-33-14-12-20(13-15-33)34-23-7-5-4-6-22(23)32(3)25(34)35/h4-11,20H,12-16H2,1-3H3
InChIKeyCYIRHOADVQKFCW-UHFFFAOYSA-N
XLogP4.90
TPSA47.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one (CID 130423883) is 1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one is Cc1c(CN2CCC(n3c(=O)n(C)c4ccccc43)CC2)nc(-c2ccc(C(F)(F)F)cc2)n1C.
What is the InChIKey of 1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one?
The InChIKey is CYIRHOADVQKFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O/c1-17-21(30-24(31(17)2)18-8-10-19(11-9-18)26(27,28)29)16-33-14-12-20(13-15-33)34-23-7-5-4-6-22(23)32(3)25(34)35/h4-11,20H,12-16H2,1-3H3.
What are the key properties of 1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one?
1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one has a molecular weight of 483.54 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]piperidin-4-yl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 130423883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).