N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C22H26F3N5O2 — CID 16665072

IUPACN-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCN(C)CCN(C)c1nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2n1C
InChIInChI=1S/C22H26F3N5O2/c1-28(2)11-12-29(3)21-27-18-10-7-16(13-19(18)30(21)4)26-20(31)14-32-17-8-5-15(6-9-17)22(23,24)25/h5-10,13H,11-12,14H2,1-4H3,(H,26,31)
InChIKeyKMPCTCXLXOJTGD-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.61
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 16665072) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID16665072
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCN(C)CCN(C)c1nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2n1C
InChIInChI=1S/C22H26F3N5O2/c1-28(2)11-12-29(3)21-27-18-10-7-16(13-19(18)30(21)4)26-20(31)14-32-17-8-5-15(6-9-17)22(23,24)25/h5-10,13H,11-12,14H2,1-4H3,(H,26,31)
InChIKeyKMPCTCXLXOJTGD-UHFFFAOYSA-N
XLogP3.61
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 16665072) is N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is CN(C)CCN(C)c1nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2n1C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is KMPCTCXLXOJTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c1-28(2)11-12-29(3)21-27-18-10-7-16(13-19(18)30(21)4)26-20(31)14-32-17-8-5-15(6-9-17)22(23,24)25/h5-10,13H,11-12,14H2,1-4H3,(H,26,31).
What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 449.48 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 16665072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).