N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide

C22H15ClN4OS — CID 3939982

IUPACN-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H15ClN4OS/c23-16-11-10-15(13-24)19(12-16)25-21(28)14-29-22-26-18-8-4-5-9-20(18)27(22)17-6-2-1-3-7-17/h1-12H,14H2,(H,25,28)
InChIKeyMKUALNOZOWELFM-UHFFFAOYSA-N
MW418.91 g/mol
LogP5.28
Rot. Bonds5

About N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide

N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 3939982) has the molecular formula C22H15ClN4OS and a molecular weight of 418.91 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID3939982
Molecular FormulaC22H15ClN4OS
Molecular Weight418.91 g/mol
Exact Mass418.07
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H15ClN4OS/c23-16-11-10-15(13-24)19(12-16)25-21(28)14-29-22-26-18-8-4-5-9-20(18)27(22)17-6-2-1-3-7-17/h1-12H,14H2,(H,25,28)
InChIKeyMKUALNOZOWELFM-UHFFFAOYSA-N
XLogP5.28
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.91
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4097321
N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4241104
N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 134025568
N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755226
N-(2-methoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4076594
N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 78765671
N-[2-(4-chlorophenyl)ethyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 23940336
N-(5-chloro-2-cyanophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 21383075
N-(2-cyanophenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4139269
N-(4-chloro-2-fluorophenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3951706
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 3620741
N-(2-hydroxyphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 155969389

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (CID 3939982) is N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is MKUALNOZOWELFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4OS/c23-16-11-10-15(13-24)19(12-16)25-21(28)14-29-22-26-18-8-4-5-9-20(18)27(22)17-6-2-1-3-7-17/h1-12H,14H2,(H,25,28).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 418.91 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 3939982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).