(1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid

C20H25F3N4O3 — CID 71305225

IUPAC(1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCc1nc2cc(C(=O)N3CCNCC3)ccc2n1C1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4O.C2HF3O2/c1-13-20-16-12-14(18(23)21-10-8-19-9-11-21)6-7-17(16)22(13)15-4-2-3-5-15;3-2(4,5)1(6)7/h6-7,12,15,19H,2-5,8-11H2,1H3;(H,6,7)
InChIKeyCPFMHPXUTAWNLX-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.14
Rot. Bonds2

About (1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid

(1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 71305225) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is (1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID71305225
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC Name(1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCc1nc2cc(C(=O)N3CCNCC3)ccc2n1C1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4O.C2HF3O2/c1-13-20-16-12-14(18(23)21-10-8-19-9-11-21)6-7-17(16)22(13)15-4-2-3-5-15;3-2(4,5)1(6)7/h6-7,12,15,19H,2-5,8-11H2,1H3;(H,6,7)
InChIKeyCPFMHPXUTAWNLX-UHFFFAOYSA-N
XLogP3.14
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid (CID 71305225) is (1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid is Cc1nc2cc(C(=O)N3CCNCC3)ccc2n1C1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is CPFMHPXUTAWNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.C2HF3O2/c1-13-20-16-12-14(18(23)21-10-8-19-9-11-21)6-7-17(16)22(13)15-4-2-3-5-15;3-2(4,5)1(6)7/h6-7,12,15,19H,2-5,8-11H2,1H3;(H,6,7).
What are the key properties of (1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid?
(1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 426.44 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71305225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).