2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

C24H20N4OS — CID 33439704

IUPAC2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1ccccc1Sc1ccccc1C#N
InChIInChI=1S/C24H20N4OS/c1-17-27-20-10-4-5-11-21(20)28(17)15-14-26-24(29)19-9-3-7-13-23(19)30-22-12-6-2-8-18(22)16-25/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyDSPYUHVGWMYWSA-UHFFFAOYSA-N
MW412.52 g/mol
LogP4.80
Rot. Bonds6

About 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (PubChem CID 33439704) has the molecular formula C24H20N4OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
PubChem CID33439704
Molecular FormulaC24H20N4OS
Molecular Weight412.52 g/mol
Exact Mass412.14
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1ccccc1Sc1ccccc1C#N
InChIInChI=1S/C24H20N4OS/c1-17-27-20-10-4-5-11-21(20)28(17)15-14-26-24(29)19-9-3-7-13-23(19)30-22-12-6-2-8-18(22)16-25/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyDSPYUHVGWMYWSA-UHFFFAOYSA-N
XLogP4.80
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 41273019
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
2-hydroxy-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31848598
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 35800173
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581
2-(2-cyanophenyl)sulfanyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55742348

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (CID 33439704) is 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is Cc1nc2ccccc2n1CCNC(=O)c1ccccc1Sc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The InChIKey is DSPYUHVGWMYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4OS/c1-17-27-20-10-4-5-11-21(20)28(17)15-14-26-24(29)19-9-3-7-13-23(19)30-22-12-6-2-8-18(22)16-25/h2-13H,14-15H2,1H3,(H,26,29).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide has a molecular weight of 412.52 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 33439704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).