N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide

C23H28N4O3 — CID 46270417

IUPACN-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCc1nc2cc(NC(=O)C(C)(C)C)ccc2n1C
InChIInChI=1S/C23H28N4O3/c1-23(2,3)22(29)25-15-10-11-18-17(14-15)26-20(27(18)4)12-13-24-21(28)16-8-6-7-9-19(16)30-5/h6-11,14H,12-13H2,1-5H3,(H,24,28)(H,25,29)
InChIKeyJIFXNXCDJQAZKC-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.54
Rot. Bonds6

About N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide

N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide (PubChem CID 46270417) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide
PubChem CID46270417
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCc1nc2cc(NC(=O)C(C)(C)C)ccc2n1C
InChIInChI=1S/C23H28N4O3/c1-23(2,3)22(29)25-15-10-11-18-17(14-15)26-20(27(18)4)12-13-24-21(28)16-8-6-7-9-19(16)30-5/h6-11,14H,12-13H2,1-5H3,(H,24,28)(H,25,29)
InChIKeyJIFXNXCDJQAZKC-UHFFFAOYSA-N
XLogP3.54
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide
CID 4895369
N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 4887664
N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625
N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751908
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]-2-methoxybenzamide
CID 110791879
N-[2-(4-fluorophenyl)-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 169245071
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide
CID 50751924

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide (CID 46270417) is N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCc1nc2cc(NC(=O)C(C)(C)C)ccc2n1C.
What is the InChIKey of N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The InChIKey is JIFXNXCDJQAZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-23(2,3)22(29)25-15-10-11-18-17(14-15)26-20(27(18)4)12-13-24-21(28)16-8-6-7-9-19(16)30-5/h6-11,14H,12-13H2,1-5H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide?
N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide has a molecular weight of 408.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 46270417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).