N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide

C32H42N4O2 — CID 16979223

IUPACN-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H42N4O2/c1-24-12-8-9-13-25(24)22-31(37)33-21-20-30-34-28-18-10-11-19-29(28)35(30)23-32(38)36(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h8-13,18-19,26-27H,2-7,14-17,20-23H2,1H3,(H,33,37)
InChIKeySVSMEFLNPFQELU-UHFFFAOYSA-N
MW514.71 g/mol
LogP5.74
Rot. Bonds9

About N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide

N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 16979223) has the molecular formula C32H42N4O2 and a molecular weight of 514.71 g/mol. Its IUPAC name is N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
PubChem CID16979223
Molecular FormulaC32H42N4O2
Molecular Weight514.71 g/mol
Exact Mass514.33
IUPAC NameN-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H42N4O2/c1-24-12-8-9-13-25(24)22-31(37)33-21-20-30-34-28-18-10-11-19-29(28)35(30)23-32(38)36(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h8-13,18-19,26-27H,2-7,14-17,20-23H2,1H3,(H,33,37)
InChIKeySVSMEFLNPFQELU-UHFFFAOYSA-N
XLogP5.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 55.74
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]-2-(2-methylphenyl)acetamide
CID 16979206
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide
CID 16974247
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979200
N-[3-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985663
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006501
N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975715
2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979203
2-chloro-N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007564
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970743
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979692
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979073
2-(2-methylphenyl)-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]acetamide
CID 16979071

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide (CID 16979223) is N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is SVSMEFLNPFQELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O2/c1-24-12-8-9-13-25(24)22-31(37)33-21-20-30-34-28-18-10-11-19-29(28)35(30)23-32(38)36(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h8-13,18-19,26-27H,2-7,14-17,20-23H2,1H3,(H,33,37).
What are the key properties of N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?
N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 514.71 g/mol, XLogP of 5.74, 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-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16979223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).