N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

C23H28N4O2 — CID 17029726

IUPACN-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C23H28N4O2/c1-15-9-8-10-17(13-15)22(29)24-16(2)21-25-18-11-6-7-12-19(18)27(21)14-20(28)26-23(3,4)5/h6-13,16H,14H2,1-5H3,(H,24,29)(H,26,28)
InChIKeyVCORBIGSTCRKIY-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.75
Rot. Bonds5

About N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (PubChem CID 17029726) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
PubChem CID17029726
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C23H28N4O2/c1-15-9-8-10-17(13-15)22(29)24-16(2)21-25-18-11-6-7-12-19(18)27(21)14-20(28)26-23(3,4)5/h6-13,16H,14H2,1-5H3,(H,24,29)(H,26,28)
InChIKeyVCORBIGSTCRKIY-UHFFFAOYSA-N
XLogP3.75
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[1-[(3-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16967151
3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029762
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967041
N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17029754
N-[1-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967131
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967031
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
N-[1-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029665
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 4754932
N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030166
3-methyl-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967105

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (CID 17029726) is N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The InChIKey is VCORBIGSTCRKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-9-8-10-17(13-15)22(29)24-16(2)21-25-18-11-6-7-12-19(18)27(21)14-20(28)26-23(3,4)5/h6-13,16H,14H2,1-5H3,(H,24,29)(H,26,28).
What are the key properties of N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 17029726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).