3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

C28H26FN5O2 — CID 118519219

IUPAC3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3ccn(CCF)n3)cc21
InChIInChI=1S/C28H26FN5O2/c1-2-34-24-19-20(26(35)31-25-15-17-33(32-25)18-16-29)13-14-23(24)30-27(34)28(36,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-15,17,19,36H,2,16,18H2,1H3,(H,31,32,35)
InChIKeyOZNOMDONKDWQAX-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.76
Rot. Bonds8

About 3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 118519219) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID118519219
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC Name3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3ccn(CCF)n3)cc21
InChIInChI=1S/C28H26FN5O2/c1-2-34-24-19-20(26(35)31-25-15-17-33(32-25)18-16-29)13-14-23(24)30-27(34)28(36,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-15,17,19,36H,2,16,18H2,1H3,(H,31,32,35)
InChIKeyOZNOMDONKDWQAX-UHFFFAOYSA-N
XLogP4.76
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (CID 118519219) is 3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3ccn(CCF)n3)cc21.
What is the InChIKey of 3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is OZNOMDONKDWQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-2-34-24-19-20(26(35)31-25-15-17-33(32-25)18-16-29)13-14-23(24)30-27(34)28(36,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-15,17,19,36H,2,16,18H2,1H3,(H,31,32,35).
What are the key properties of 3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 118519219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).