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

C26H27N3O2 — CID 118519260

IUPAC3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CCC(=O)NC)cc21
InChIInChI=1S/C26H27N3O2/c1-3-29-23-18-19(15-17-24(30)27-2)14-16-22(23)28-25(29)26(31,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-14,16,18,31H,3,15,17H2,1-2H3,(H,27,30)
InChIKeyPITXRPCQRXBOCN-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.02
Rot. Bonds7

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

3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide (PubChem CID 118519260) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide
PubChem CID118519260
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CCC(=O)NC)cc21
InChIInChI=1S/C26H27N3O2/c1-3-29-23-18-19(15-17-24(30)27-2)14-16-22(23)28-25(29)26(31,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-14,16,18,31H,3,15,17H2,1-2H3,(H,27,30)
InChIKeyPITXRPCQRXBOCN-UHFFFAOYSA-N
XLogP4.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide?
The IUPAC name of 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide (CID 118519260) is 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide?
The canonical SMILES for 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CCC(=O)NC)cc21.
What is the InChIKey of 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide?
The InChIKey is PITXRPCQRXBOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-3-29-23-18-19(15-17-24(30)27-2)14-16-22(23)28-25(29)26(31,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-14,16,18,31H,3,15,17H2,1-2H3,(H,27,30).
What are the key properties of 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide?
3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide has a molecular weight of 413.52 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide is sourced from PubChem (CID 118519260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).