[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C20H19F3N4O — CID 42479114

IUPAC[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C20H19F3N4O/c1-13-25-17-11-15(20(21,22)23)4-5-18(17)27(13)16-6-9-26(10-7-16)19(28)14-3-2-8-24-12-14/h2-5,8,11-12,16H,6-7,9-10H2,1H3
InChIKeyPQHWSBSAXBRZRX-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.24
Rot. Bonds2

About [4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 42479114) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is [4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID42479114
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C20H19F3N4O/c1-13-25-17-11-15(20(21,22)23)4-5-18(17)27(13)16-6-9-26(10-7-16)19(28)14-3-2-8-24-12-14/h2-5,8,11-12,16H,6-7,9-10H2,1H3
InChIKeyPQHWSBSAXBRZRX-UHFFFAOYSA-N
XLogP4.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
CID 1084752
(4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
CID 26362524
2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 649306
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 3219917
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 1469473
N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide
CID 3219915
(1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 71305225
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 133359772
3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
CID 58517052
7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one
CID 53181166

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 42479114) is [4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone is Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of [4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is PQHWSBSAXBRZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-13-25-17-11-15(20(21,22)23)4-5-18(17)27(13)16-6-9-26(10-7-16)19(28)14-3-2-8-24-12-14/h2-5,8,11-12,16H,6-7,9-10H2,1H3.
What are the key properties of [4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 388.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 42479114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).