2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide

C20H25FN4O2 — CID 126490228

IUPAC2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide
SMILESCCn1c(CNC(C)(C)C(N)=O)nc2c1=CC(Oc1ccc(F)cc1)CC=2
InChIInChI=1S/C20H25FN4O2/c1-4-25-17-11-15(27-14-7-5-13(21)6-8-14)9-10-16(17)24-18(25)12-23-20(2,3)19(22)26/h5-8,10-11,15,23H,4,9,12H2,1-3H3,(H2,22,26)
InChIKeyYECVCYKBRHYCIK-UHFFFAOYSA-N
MW372.44 g/mol
LogP0.81
Rot. Bonds7

About 2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide

2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide (PubChem CID 126490228) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide
PubChem CID126490228
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide
SMILESCCn1c(CNC(C)(C)C(N)=O)nc2c1=CC(Oc1ccc(F)cc1)CC=2
InChIInChI=1S/C20H25FN4O2/c1-4-25-17-11-15(27-14-7-5-13(21)6-8-14)9-10-16(17)24-18(25)12-23-20(2,3)19(22)26/h5-8,10-11,15,23H,4,9,12H2,1-3H3,(H2,22,26)
InChIKeyYECVCYKBRHYCIK-UHFFFAOYSA-N
XLogP0.81
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide?
The IUPAC name of 2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide (CID 126490228) is 2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide?
The canonical SMILES for 2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide is CCn1c(CNC(C)(C)C(N)=O)nc2c1=CC(Oc1ccc(F)cc1)CC=2.
What is the InChIKey of 2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide?
The InChIKey is YECVCYKBRHYCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-4-25-17-11-15(27-14-7-5-13(21)6-8-14)9-10-16(17)24-18(25)12-23-20(2,3)19(22)26/h5-8,10-11,15,23H,4,9,12H2,1-3H3,(H2,22,26).
What are the key properties of 2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide?
2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide has a molecular weight of 372.44 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-ethyl-6-(4-fluorophenoxy)-5,6-dihydrobenzimidazol-2-yl]methylamino]-2-methylpropanamide is sourced from PubChem (CID 126490228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).