N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C31H34N4O2 — CID 16975843

IUPACN-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C31H34N4O2/c36-30(34(26-16-8-3-9-17-26)22-24-12-4-1-5-13-24)23-35-28-19-11-10-18-27(28)33-29(35)20-21-32-31(37)25-14-6-2-7-15-25/h1-2,4-7,10-15,18-19,26H,3,8-9,16-17,20-23H2,(H,32,37)
InChIKeyYVOBTSGAFBUIGC-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.37
Rot. Bonds9

About N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16975843) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16975843
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC NameN-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C31H34N4O2/c36-30(34(26-16-8-3-9-17-26)22-24-12-4-1-5-13-24)23-35-28-19-11-10-18-27(28)33-29(35)20-21-32-31(37)25-14-6-2-7-15-25/h1-2,4-7,10-15,18-19,26H,3,8-9,16-17,20-23H2,(H,32,37)
InChIKeyYVOBTSGAFBUIGC-UHFFFAOYSA-N
XLogP5.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966475
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978358
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980340
N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983121
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979206
N-[5-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-bromobenzamide
CID 16990704
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979692
N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981519
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979854
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981235
N-[5-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992324

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16975843) is N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is O=C(NCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is YVOBTSGAFBUIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c36-30(34(26-16-8-3-9-17-26)22-24-12-4-1-5-13-24)23-35-28-19-11-10-18-27(28)33-29(35)20-21-32-31(37)25-14-6-2-7-15-25/h1-2,4-7,10-15,18-19,26H,3,8-9,16-17,20-23H2,(H,32,37).
What are the key properties of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 494.64 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16975843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).