2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide

C29H32N4O2 — CID 16979203

IUPAC2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCc1ccccc1CC(=O)NCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C29H32N4O2/c1-21(2)33(24-13-5-4-6-14-24)29(35)20-32-26-16-10-9-15-25(26)31-27(32)17-18-30-28(34)19-23-12-8-7-11-22(23)3/h4-16,21H,17-20H2,1-3H3,(H,30,34)
InChIKeyDOJWFHRODQMLAS-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.69
Rot. Bonds9

About 2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide

2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16979203) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16979203
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCc1ccccc1CC(=O)NCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C29H32N4O2/c1-21(2)33(24-13-5-4-6-14-24)29(35)20-32-26-16-10-9-15-25(26)31-27(32)17-18-30-28(34)19-23-12-8-7-11-22(23)3/h4-16,21H,17-20H2,1-3H3,(H,30,34)
InChIKeyDOJWFHRODQMLAS-UHFFFAOYSA-N
XLogP4.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide with MolForge

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Related Compounds

N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979200
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16996200
2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973287
N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979223
2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 17006636
2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16988433
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979206
N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
CID 19243040
2-(2-methylphenyl)-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]acetamide
CID 16979071
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979073
2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 3279039
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979038

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide (CID 16979203) is 2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide is Cc1ccccc1CC(=O)NCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is DOJWFHRODQMLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-21(2)33(24-13-5-4-6-14-24)29(35)20-32-26-16-10-9-15-25(26)31-27(32)17-18-30-28(34)19-23-12-8-7-11-22(23)3/h4-16,21H,17-20H2,1-3H3,(H,30,34).
What are the key properties of 2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide?
2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 468.60 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16979203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).