2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide

C26H30N4O2 — CID 124813935

IUPAC2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESC[C@@H]1CCCC[C@@H]1N1C(=O)[C@H](CC(=O)NCCc2ccccc2)n2c1nc1ccccc12
InChIInChI=1S/C26H30N4O2/c1-18-9-5-7-13-21(18)30-25(32)23(29-22-14-8-6-12-20(22)28-26(29)30)17-24(31)27-16-15-19-10-3-2-4-11-19/h2-4,6,8,10-12,14,18,21,23H,5,7,9,13,15-17H2,1H3,(H,27,31)/t18-,21+,23+/m1/s1
InChIKeyFBCJMFPGNQQYHP-JZWVFAODSA-N
MW430.55 g/mol
LogP4.25
Rot. Bonds6

About 2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide

2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 124813935) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID124813935
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESC[C@@H]1CCCC[C@@H]1N1C(=O)[C@H](CC(=O)NCCc2ccccc2)n2c1nc1ccccc12
InChIInChI=1S/C26H30N4O2/c1-18-9-5-7-13-21(18)30-25(32)23(29-22-14-8-6-12-20(22)28-26(29)30)17-24(31)27-16-15-19-10-3-2-4-11-19/h2-4,6,8,10-12,14,18,21,23H,5,7,9,13,15-17H2,1H3,(H,27,31)/t18-,21+,23+/m1/s1
InChIKeyFBCJMFPGNQQYHP-JZWVFAODSA-N
XLogP4.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 124817561
2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
CID 43854329
N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43854164
2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide
CID 92667109
N-benzyl-2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 25251832
2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 92667084
2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-methylphenyl)acetamide
CID 31056821
2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 31056825
2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 38094667
N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide
CID 92695446
2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 31056559
N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832365

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide (CID 124813935) is 2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide is C[C@@H]1CCCC[C@@H]1N1C(=O)[C@H](CC(=O)NCCc2ccccc2)n2c1nc1ccccc12.
What is the InChIKey of 2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is FBCJMFPGNQQYHP-JZWVFAODSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-9-5-7-13-21(18)30-25(32)23(29-22-14-8-6-12-20(22)28-26(29)30)17-24(31)27-16-15-19-10-3-2-4-11-19/h2-4,6,8,10-12,14,18,21,23H,5,7,9,13,15-17H2,1H3,(H,27,31)/t18-,21+,23+/m1/s1.
What are the key properties of 2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 430.55 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 124813935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).