N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide

C20H18N4OS — CID 611858

IUPACN-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cncs2)nc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C20H18N4OS/c25-19(22-11-10-15-6-2-1-3-7-15)13-24-17-9-5-4-8-16(17)23-20(24)18-12-21-14-26-18/h1-9,12,14H,10-11,13H2,(H,22,25)
InChIKeyRLVAECXCGINYQB-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.52
Rot. Bonds6

About N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide

N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide (PubChem CID 611858) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
PubChem CID611858
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cncs2)nc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C20H18N4OS/c25-19(22-11-10-15-6-2-1-3-7-15)13-24-17-9-5-4-8-16(17)23-20(24)18-12-21-14-26-18/h1-9,12,14H,10-11,13H2,(H,22,25)
InChIKeyRLVAECXCGINYQB-UHFFFAOYSA-N
XLogP3.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide (CID 611858) is N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cncs2)nc2ccccc21)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The InChIKey is RLVAECXCGINYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c25-19(22-11-10-15-6-2-1-3-7-15)13-24-17-9-5-4-8-16(17)23-20(24)18-12-21-14-26-18/h1-9,12,14H,10-11,13H2,(H,22,25).
What are the key properties of N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide has a molecular weight of 362.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 611858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).