N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

C20H18N4OS — CID 17408127

IUPACN-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C20H18N4OS/c25-19(21-11-10-15-6-2-1-3-7-15)12-24-18-9-5-4-8-16(18)23-20(24)17-13-26-14-22-17/h1-9,13-14H,10-12H2,(H,21,25)
InChIKeyPKEHXJBFRAJTMW-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.52
Rot. Bonds6

About N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 17408127) 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-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID17408127
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C20H18N4OS/c25-19(21-11-10-15-6-2-1-3-7-15)12-24-18-9-5-4-8-16(18)23-20(24)17-13-26-14-22-17/h1-9,13-14H,10-12H2,(H,21,25)
InChIKeyPKEHXJBFRAJTMW-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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Related Compounds

N-[(4-methylphenyl)methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17489928
N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 41388137
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 9291962
N-(4-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513606
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 9459935
N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 1338238
N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513923
N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 99776473
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27769406
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27769405
N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 40718245
N-(2,4-dimethoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27445143

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 17408127) is N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cscn2)nc2ccccc21)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is PKEHXJBFRAJTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c25-19(21-11-10-15-6-2-1-3-7-15)12-24-18-9-5-4-8-16(18)23-20(24)17-13-26-14-22-17/h1-9,13-14H,10-12H2,(H,21,25).
What are the key properties of N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-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-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17408127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).