N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C21H14F3N5O4 — CID 39975848

IUPACN-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1
InChIInChI=1S/C21H14F3N5O4/c1-10-15(16-17(30)25-9-26-19(16)33-10)18(31)28-20-27-13-7-11(21(22,23)24)4-5-14(13)29(20)8-12-3-2-6-32-12/h2-7,9H,8H2,1H3,(H,25,26,30)(H,27,28,31)
InChIKeyNZEJIQASCIVSPR-UHFFFAOYSA-N
MW457.37 g/mol
LogP4.09
Rot. Bonds4

About N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39975848) has the molecular formula C21H14F3N5O4 and a molecular weight of 457.37 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID39975848
Molecular FormulaC21H14F3N5O4
Molecular Weight457.37 g/mol
Exact Mass457.10
IUPAC NameN-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1
InChIInChI=1S/C21H14F3N5O4/c1-10-15(16-17(30)25-9-26-19(16)33-10)18(31)28-20-27-13-7-11(21(22,23)24)4-5-14(13)29(20)8-12-3-2-6-32-12/h2-7,9H,8H2,1H3,(H,25,26,30)(H,27,28,31)
InChIKeyNZEJIQASCIVSPR-UHFFFAOYSA-N
XLogP4.09
TPSA118.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 39975848) is N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1.
What is the InChIKey of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is NZEJIQASCIVSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O4/c1-10-15(16-17(30)25-9-26-19(16)33-10)18(31)28-20-27-13-7-11(21(22,23)24)4-5-14(13)29(20)8-12-3-2-6-32-12/h2-7,9H,8H2,1H3,(H,25,26,30)(H,27,28,31).
What are the key properties of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 457.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39975848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).