N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide

C22H26N4O2 — CID 17029492

IUPACN-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nc3ccccc3n2CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-15-9-11-16(12-10-15)21(28)23-13-19-24-17-7-5-6-8-18(17)26(19)14-20(27)25-22(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,28)(H,25,27)
InChIKeyRLDPQNVNWDAKNA-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.19
Rot. Bonds5

About N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide

N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide (PubChem CID 17029492) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
PubChem CID17029492
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nc3ccccc3n2CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-15-9-11-16(12-10-15)21(28)23-13-19-24-17-7-5-6-8-18(17)26(19)14-20(27)25-22(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,28)(H,25,27)
InChIKeyRLDPQNVNWDAKNA-UHFFFAOYSA-N
XLogP3.19
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028956
N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029514
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007252
N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007228
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007232
4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007225
4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540
3-methyl-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029442
4-methyl-N-[2-[1-[2-oxo-2-(propylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030844
2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029366

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide (CID 17029492) is N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2nc3ccccc3n2CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide?
The InChIKey is RLDPQNVNWDAKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-9-11-16(12-10-15)21(28)23-13-19-24-17-7-5-6-8-18(17)26(19)14-20(27)25-22(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,28)(H,25,27).
What are the key properties of N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide?
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide has a molecular weight of 378.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 17029492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).