4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide

C24H24F3N5O3 — CID 151396670

IUPAC4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide
SMILESCCn1cc(-c2ccc3c(c2)ncn3-c2cc(OC)c(C(=O)NCCC(F)(F)F)c(OC)c2)cn1
InChIInChI=1S/C24H24F3N5O3/c1-4-31-13-16(12-30-31)15-5-6-19-18(9-15)29-14-32(19)17-10-20(34-2)22(21(11-17)35-3)23(33)28-8-7-24(25,26)27/h5-6,9-14H,4,7-8H2,1-3H3,(H,28,33)
InChIKeyOVPLUPVGXBOEOL-UHFFFAOYSA-N
MW487.48 g/mol
LogP4.61
Rot. Bonds8

About 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide

4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 151396670) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID151396670
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Name4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide
SMILESCCn1cc(-c2ccc3c(c2)ncn3-c2cc(OC)c(C(=O)NCCC(F)(F)F)c(OC)c2)cn1
InChIInChI=1S/C24H24F3N5O3/c1-4-31-13-16(12-30-31)15-5-6-19-18(9-15)29-14-32(19)17-10-20(34-2)22(21(11-17)35-3)23(33)28-8-7-24(25,26)27/h5-6,9-14H,4,7-8H2,1-3H3,(H,28,33)
InChIKeyOVPLUPVGXBOEOL-UHFFFAOYSA-N
XLogP4.61
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide (CID 151396670) is 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide is CCn1cc(-c2ccc3c(c2)ncn3-c2cc(OC)c(C(=O)NCCC(F)(F)F)c(OC)c2)cn1.
What is the InChIKey of 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is OVPLUPVGXBOEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c1-4-31-13-16(12-30-31)15-5-6-19-18(9-15)29-14-32(19)17-10-20(34-2)22(21(11-17)35-3)23(33)28-8-7-24(25,26)27/h5-6,9-14H,4,7-8H2,1-3H3,(H,28,33).
What are the key properties of 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide?
4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 487.48 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxy-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 151396670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).