2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine

C19H20F3N3O2 — CID 134126957

IUPAC2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine
SMILESCOCc1nc2cc(N(C)C)ccc2n1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H20F3N3O2/c1-24(2)14-6-9-17-16(10-14)23-18(12-26-3)25(17)11-13-4-7-15(8-5-13)27-19(20,21)22/h4-10H,11-12H2,1-3H3
InChIKeyQEYDVXPXZNWRCP-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.20
Rot. Bonds6

About 2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine

2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine (PubChem CID 134126957) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine
PubChem CID134126957
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine
SMILESCOCc1nc2cc(N(C)C)ccc2n1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H20F3N3O2/c1-24(2)14-6-9-17-16(10-14)23-18(12-26-3)25(17)11-13-4-7-15(8-5-13)27-19(20,21)22/h4-10H,11-12H2,1-3H3
InChIKeyQEYDVXPXZNWRCP-UHFFFAOYSA-N
XLogP4.20
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine?
The IUPAC name of 2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine (CID 134126957) is 2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine?
The canonical SMILES for 2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine is COCc1nc2cc(N(C)C)ccc2n1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine?
The InChIKey is QEYDVXPXZNWRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-24(2)14-6-9-17-16(10-14)23-18(12-26-3)25(17)11-13-4-7-15(8-5-13)27-19(20,21)22/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine?
2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine has a molecular weight of 379.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine is sourced from PubChem (CID 134126957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).