4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C20H20F3N5O — CID 651763

IUPAC4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCn1c(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21
InChIInChI=1S/C20H20F3N5O/c1-26-17-5-3-2-4-16(17)25-18(26)27-10-12-28(13-11-27)19(29)24-15-8-6-14(7-9-15)20(21,22)23/h2-9H,10-13H2,1H3,(H,24,29)
InChIKeyDLHNNYLMZQSCKP-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.95
Rot. Bonds2

About 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 651763) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID651763
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCn1c(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21
InChIInChI=1S/C20H20F3N5O/c1-26-17-5-3-2-4-16(17)25-18(26)27-10-12-28(13-11-27)19(29)24-15-8-6-14(7-9-15)20(21,22)23/h2-9H,10-13H2,1H3,(H,24,29)
InChIKeyDLHNNYLMZQSCKP-UHFFFAOYSA-N
XLogP3.95
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 651763) is 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is Cn1c(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is DLHNNYLMZQSCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-26-17-5-3-2-4-16(17)25-18(26)27-10-12-28(13-11-27)19(29)24-15-8-6-14(7-9-15)20(21,22)23/h2-9H,10-13H2,1H3,(H,24,29).
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 651763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).