7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide

C22H21FN4O2S — CID 71191551

IUPAC7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)C)cc(OCc3ccc(F)cc3)c2n1Cc1nccs1
InChIInChI=1S/C22H21FN4O2S/c1-14-25-18-10-16(22(28)26(2)3)11-19(29-13-15-4-6-17(23)7-5-15)21(18)27(14)12-20-24-8-9-30-20/h4-11H,12-13H2,1-3H3
InChIKeyXEGZHFPPEBXKKP-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.27
Rot. Bonds6

About 7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide

7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 71191551) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID71191551
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)C)cc(OCc3ccc(F)cc3)c2n1Cc1nccs1
InChIInChI=1S/C22H21FN4O2S/c1-14-25-18-10-16(22(28)26(2)3)11-19(29-13-15-4-6-17(23)7-5-15)21(18)27(14)12-20-24-8-9-30-20/h4-11H,12-13H2,1-3H3
InChIKeyXEGZHFPPEBXKKP-UHFFFAOYSA-N
XLogP4.27
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide (CID 71191551) is 7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide is Cc1nc2cc(C(=O)N(C)C)cc(OCc3ccc(F)cc3)c2n1Cc1nccs1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is XEGZHFPPEBXKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-14-25-18-10-16(22(28)26(2)3)11-19(29-13-15-4-6-17(23)7-5-15)21(18)27(14)12-20-24-8-9-30-20/h4-11H,12-13H2,1-3H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide?
7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-N,N,2-trimethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 71191551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).