N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide

C18H13ClN4OS — CID 612046

IUPACN-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cncs2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4OS/c19-12-5-7-13(8-6-12)21-17(24)10-23-15-4-2-1-3-14(15)22-18(23)16-9-20-11-25-16/h1-9,11H,10H2,(H,21,24)
InChIKeyPWNZHWBKHSCYQV-UHFFFAOYSA-N
MW368.85 g/mol
LogP4.45
Rot. Bonds4

About N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide

N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide (PubChem CID 612046) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
PubChem CID612046
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC NameN-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cncs2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4OS/c19-12-5-7-13(8-6-12)21-17(24)10-23-15-4-2-1-3-14(15)22-18(23)16-9-20-11-25-16/h1-9,11H,10H2,(H,21,24)
InChIKeyPWNZHWBKHSCYQV-UHFFFAOYSA-N
XLogP4.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
CID 155812818
N-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide
CID 67473088
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 17032990
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 17033124
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
N-(4-chlorophenyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032405
N-(4-methylphenyl)-2-[2-(2-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032745
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029611

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide (CID 612046) is N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cncs2)nc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The InChIKey is PWNZHWBKHSCYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c19-12-5-7-13(8-6-12)21-17(24)10-23-15-4-2-1-3-14(15)22-18(23)16-9-20-11-25-16/h1-9,11H,10H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide has a molecular weight of 368.85 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 612046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).