2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide

C24H23N3O2 — CID 126726535

IUPAC2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(N)=O)cc21
InChIInChI=1S/C24H23N3O2/c1-2-27-21-15-17(16-22(25)28)13-14-20(21)26-23(27)24(29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,29H,2,16H2,1H3,(H2,25,28)
InChIKeyKHNXVBUIADPMTM-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.37
Rot. Bonds6

About 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide

2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide (PubChem CID 126726535) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide
PubChem CID126726535
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(N)=O)cc21
InChIInChI=1S/C24H23N3O2/c1-2-27-21-15-17(16-22(25)28)13-14-20(21)26-23(27)24(29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,29H,2,16H2,1H3,(H2,25,28)
InChIKeyKHNXVBUIADPMTM-UHFFFAOYSA-N
XLogP3.37
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide?
The IUPAC name of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide (CID 126726535) is 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(N)=O)cc21.
What is the InChIKey of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide?
The InChIKey is KHNXVBUIADPMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-2-27-21-15-17(16-22(25)28)13-14-20(21)26-23(27)24(29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,29H,2,16H2,1H3,(H2,25,28).
What are the key properties of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide?
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide is sourced from PubChem (CID 126726535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).