(1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C26H30F3N5O — CID 118391351

IUPAC(1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCn1c(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2cc(C3CCNCC3)ccc21
InChIInChI=1S/C26H30F3N5O/c1-32-23-7-4-20(19-8-10-30-11-9-19)16-22(23)31-24(32)25(35)34-14-12-33(13-15-34)17-18-2-5-21(6-3-18)26(27,28)29/h2-7,16,19,30H,8-15,17H2,1H3
InChIKeyMBUGIMVEJYZXEF-UHFFFAOYSA-N
MW485.55 g/mol
LogP4.02
Rot. Bonds4

About (1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

(1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 118391351) has the molecular formula C26H30F3N5O and a molecular weight of 485.55 g/mol. Its IUPAC name is (1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID118391351
Molecular FormulaC26H30F3N5O
Molecular Weight485.55 g/mol
Exact Mass485.24
IUPAC Name(1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCn1c(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2cc(C3CCNCC3)ccc21
InChIInChI=1S/C26H30F3N5O/c1-32-23-7-4-20(19-8-10-30-11-9-19)16-22(23)31-24(32)25(35)34-14-12-33(13-15-34)17-18-2-5-21(6-3-18)26(27,28)29/h2-7,16,19,30H,8-15,17H2,1H3
InChIKeyMBUGIMVEJYZXEF-UHFFFAOYSA-N
XLogP4.02
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118391340
tert-butyl 4-[2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-1,3-benzoxazol-5-yl]piperidine-1-carboxylate
CID 118391385
[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118397079
[1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118391425
(4-ethylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55433059
[4-(1,3-dithiolan-2-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 26787762
tert-butyl 4-[2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxylate
CID 118391388
1H-indol-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 42572629
[6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 151924227
[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 35614259
methyl 3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzoate
CID 55760139
N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 17482943

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 118391351) is (1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is Cn1c(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2cc(C3CCNCC3)ccc21.
What is the InChIKey of (1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is MBUGIMVEJYZXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O/c1-32-23-7-4-20(19-8-10-30-11-9-19)16-22(23)31-24(32)25(35)34-14-12-33(13-15-34)17-18-2-5-21(6-3-18)26(27,28)29/h2-7,16,19,30H,8-15,17H2,1H3.
What are the key properties of (1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
(1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 485.55 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118391351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).