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

C27H32N4O2 — CID 16980340

IUPACN-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C27H32N4O2/c1-2-26(32)28-18-17-25-29-23-15-9-10-16-24(23)31(25)20-27(33)30(22-13-7-4-8-14-22)19-21-11-5-3-6-12-21/h2-3,5-6,9-12,15-16,22H,1,4,7-8,13-14,17-20H2,(H,28,32)
InChIKeyVOOZVDUXKYFJDA-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.24
Rot. Bonds9

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

N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide (PubChem CID 16980340) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
PubChem CID16980340
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C27H32N4O2/c1-2-26(32)28-18-17-25-29-23-15-9-10-16-24(23)31(25)20-27(33)30(22-13-7-4-8-14-22)19-21-11-5-3-6-12-21/h2-3,5-6,9-12,15-16,22H,1,4,7-8,13-14,17-20H2,(H,28,32)
InChIKeyVOOZVDUXKYFJDA-UHFFFAOYSA-N
XLogP4.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992324
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975843
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]pyridine-2-carboxamide
CID 16966475
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979206
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-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983121
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-[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-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17006639

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide (CID 16980340) is N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide is C=CC(=O)NCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The InChIKey is VOOZVDUXKYFJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-2-26(32)28-18-17-25-29-23-15-9-10-16-24(23)31(25)20-27(33)30(22-13-7-4-8-14-22)19-21-11-5-3-6-12-21/h2-3,5-6,9-12,15-16,22H,1,4,7-8,13-14,17-20H2,(H,28,32).
What are the key properties of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]prop-2-enamide has a molecular weight of 444.58 g/mol, XLogP of 4.24, 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]prop-2-enamide is sourced from PubChem (CID 16980340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).