7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide

C21H24FN3O3 — CID 71191424

IUPAC7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide
SMILESCOCCn1c(C)nc2cc(C(=O)N(C)C)cc(OCc3ccccc3F)c21
InChIInChI=1S/C21H24FN3O3/c1-14-23-18-11-16(21(26)24(2)3)12-19(20(18)25(14)9-10-27-4)28-13-15-7-5-6-8-17(15)22/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeySWNUTMCHZFCHPI-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.41
Rot. Bonds7

About 7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide

7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide (PubChem CID 71191424) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide
PubChem CID71191424
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide
SMILESCOCCn1c(C)nc2cc(C(=O)N(C)C)cc(OCc3ccccc3F)c21
InChIInChI=1S/C21H24FN3O3/c1-14-23-18-11-16(21(26)24(2)3)12-19(20(18)25(14)9-10-27-4)28-13-15-7-5-6-8-17(15)22/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeySWNUTMCHZFCHPI-UHFFFAOYSA-N
XLogP3.41
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide?
The IUPAC name of 7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide (CID 71191424) is 7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide is COCCn1c(C)nc2cc(C(=O)N(C)C)cc(OCc3ccccc3F)c21.
What is the InChIKey of 7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide?
The InChIKey is SWNUTMCHZFCHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-14-23-18-11-16(21(26)24(2)3)12-19(20(18)25(14)9-10-27-4)28-13-15-7-5-6-8-17(15)22/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of 7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide?
7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 71191424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).