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

C28H26FN5O2 — CID 118515857

IUPACN-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1ccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCF)c3c2)n1
InChIInChI=1S/C28H26FN5O2/c1-2-33-17-15-25(32-33)31-26(35)20-13-14-23-24(19-20)34(18-16-29)27(30-23)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)
InChIKeyBPSPGAFFAGKKDU-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.76
Rot. Bonds8

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

N-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 118515857) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID118515857
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC NameN-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1ccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCF)c3c2)n1
InChIInChI=1S/C28H26FN5O2/c1-2-33-17-15-25(32-33)31-26(35)20-13-14-23-24(19-20)34(18-16-29)27(30-23)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)
InChIKeyBPSPGAFFAGKKDU-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 N-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (CID 118515857) is N-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is CCn1ccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCF)c3c2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is BPSPGAFFAGKKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-2-33-17-15-25(32-33)31-26(35)20-13-14-23-24(19-20)34(18-16-29)27(30-23)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 N-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
N-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-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 N-(1-ethylpyrazol-3-yl)-3-(2-fluoroethyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 118515857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).