N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C23H26N4O3S — CID 52655634

IUPACN-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2n1C1CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C23H26N4O3S/c28-22(17-11-13-18(14-12-17)26-15-6-16-31(26,29)30)25-23-24-20-9-4-5-10-21(20)27(23)19-7-2-1-3-8-19/h4-5,9-14,19H,1-3,6-8,15-16H2,(H,24,25,28)
InChIKeyYWEMTHGYILRTLF-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.33
Rot. Bonds4

About N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 52655634) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID52655634
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2n1C1CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C23H26N4O3S/c28-22(17-11-13-18(14-12-17)26-15-6-16-31(26,29)30)25-23-24-20-9-4-5-10-21(20)27(23)19-7-2-1-3-8-19/h4-5,9-14,19H,1-3,6-8,15-16H2,(H,24,25,28)
InChIKeyYWEMTHGYILRTLF-UHFFFAOYSA-N
XLogP4.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(1-cyclopentylbenzimidazol-2-yl)benzamide;hydrochloride
CID 119332720
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CID 136538090
4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide
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CID 46979712
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N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 134030509
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 47078417
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 52655634) is N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1nc2ccccc2n1C1CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is YWEMTHGYILRTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c28-22(17-11-13-18(14-12-17)26-15-6-16-31(26,29)30)25-23-24-20-9-4-5-10-21(20)27(23)19-7-2-1-3-8-19/h4-5,9-14,19H,1-3,6-8,15-16H2,(H,24,25,28).
What are the key properties of N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 52655634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).