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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Related Compounds

Ikk-IN-3
CID 10215156
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
N-(4-Bromophenyl)-2-[2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]acetamide
CID 44602364
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide
CID 156026027
1H-Benzimidazole-2-carboxamide, N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]-1-(phenylmethyl)-
CID 25105469
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1,3-thiazole-5-carboxamide
CID 134277685
N-(4-Chlorophenyl)-2-[2-(1,3-thiazol-5-yl)-1H-benzimidazol-1-yl]acetamide
CID 612046
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
2-[(2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)amino]acetamide
CID 23657350

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).