cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone

C18H20F3N3O — CID 1084752

IUPACcyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H20F3N3O/c1-11-22-15-10-13(18(19,20)21)4-5-16(15)24(11)14-6-8-23(9-7-14)17(25)12-2-3-12/h4-5,10,12,14H,2-3,6-9H2,1H3
InChIKeyGCNLFWIWOIVWLE-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.94
Rot. Bonds2

About cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone

cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 1084752) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
PubChem CID1084752
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Namecyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H20F3N3O/c1-11-22-15-10-13(18(19,20)21)4-5-16(15)24(11)14-6-8-23(9-7-14)17(25)12-2-3-12/h4-5,10,12,14H,2-3,6-9H2,1H3
InChIKeyGCNLFWIWOIVWLE-UHFFFAOYSA-N
XLogP3.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone (CID 1084752) is cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone is Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is GCNLFWIWOIVWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-11-22-15-10-13(18(19,20)21)4-5-16(15)24(11)14-6-8-23(9-7-14)17(25)12-2-3-12/h4-5,10,12,14H,2-3,6-9H2,1H3.
What are the key properties of cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 351.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 1084752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).