N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide

C25H28N4O2S — CID 112831960

IUPACN-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSc1ccccc1C(=O)N1CCn2c1nc1ccccc12)C1CCCCC1
InChIInChI=1S/C25H28N4O2S/c1-27(18-9-3-2-4-10-18)23(30)17-32-22-14-8-5-11-19(22)24(31)29-16-15-28-21-13-7-6-12-20(21)26-25(28)29/h5-8,11-14,18H,2-4,9-10,15-17H2,1H3
InChIKeyNQJOKMMFBXWSPT-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.58
Rot. Bonds5

About N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide

N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide (PubChem CID 112831960) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide
PubChem CID112831960
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC NameN-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSc1ccccc1C(=O)N1CCn2c1nc1ccccc12)C1CCCCC1
InChIInChI=1S/C25H28N4O2S/c1-27(18-9-3-2-4-10-18)23(30)17-32-22-14-8-5-11-19(22)24(31)29-16-15-28-21-13-7-6-12-20(21)26-25(28)29/h5-8,11-14,18H,2-4,9-10,15-17H2,1H3
InChIKeyNQJOKMMFBXWSPT-UHFFFAOYSA-N
XLogP4.58
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 55408612
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N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide
CID 55334635
3-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]amino]propanoic acid
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CID 55520295
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-piperidin-4-ylbenzamide
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2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51237876
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(2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
CID 66504683
N-[1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78530144
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide (CID 112831960) is N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide is CN(C(=O)CSc1ccccc1C(=O)N1CCn2c1nc1ccccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide?
The InChIKey is NQJOKMMFBXWSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-27(18-9-3-2-4-10-18)23(30)17-32-22-14-8-5-11-19(22)24(31)29-16-15-28-21-13-7-6-12-20(21)26-25(28)29/h5-8,11-14,18H,2-4,9-10,15-17H2,1H3.
What are the key properties of N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide?
N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide has a molecular weight of 448.59 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 112831960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).