N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide

C25H28N4O2S — CID 34179937

IUPACN-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
SMILESCSCc1nc2ccccc2n1CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C25H28N4O2S/c1-32-16-23-27-21-4-2-3-5-22(21)29(23)15-24(30)28(20-12-13-20)14-17-6-8-18(9-7-17)25(31)26-19-10-11-19/h2-9,19-20H,10-16H2,1H3,(H,26,31)
InChIKeyRBXPDGSEEMGMRW-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.98
Rot. Bonds9

About N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide (PubChem CID 34179937) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
PubChem CID34179937
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
SMILESCSCc1nc2ccccc2n1CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C25H28N4O2S/c1-32-16-23-27-21-4-2-3-5-22(21)29(23)15-24(30)28(20-12-13-20)14-17-6-8-18(9-7-17)25(31)26-19-10-11-19/h2-9,19-20H,10-16H2,1H3,(H,26,31)
InChIKeyRBXPDGSEEMGMRW-UHFFFAOYSA-N
XLogP3.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide with MolForge

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Related Compounds

N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975843
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 52526747
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441759
N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015449
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 36676558
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006484
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979692
N-methoxy-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015440
3-[methyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119232506

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide (CID 34179937) is N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide is CSCc1nc2ccccc2n1CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide?
The InChIKey is RBXPDGSEEMGMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-32-16-23-27-21-4-2-3-5-22(21)29(23)15-24(30)28(20-12-13-20)14-17-6-8-18(9-7-17)25(31)26-19-10-11-19/h2-9,19-20H,10-16H2,1H3,(H,26,31).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide has a molecular weight of 448.59 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 34179937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).