N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide

C20H22N4O2 — CID 9111149

IUPACN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)14-10-8-13(9-11-14)18(26)21-12-17(25)24-19-22-15-6-4-5-7-16(15)23-19/h4-11H,12H2,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyZZMINIICFIYLBZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.23
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide

N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide (PubChem CID 9111149) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide
PubChem CID9111149
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)14-10-8-13(9-11-14)18(26)21-12-17(25)24-19-22-15-6-4-5-7-16(15)23-19/h4-11H,12H2,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyZZMINIICFIYLBZ-UHFFFAOYSA-N
XLogP3.23
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
CID 112809550
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 60565943
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
CID 53199724
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
CID 53011843
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24542842
N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide
CID 17429705
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001418
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 7998445
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide (CID 9111149) is N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide?
The InChIKey is ZZMINIICFIYLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2,3)14-10-8-13(9-11-14)18(26)21-12-17(25)24-19-22-15-6-4-5-7-16(15)23-19/h4-11H,12H2,1-3H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide?
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide is sourced from PubChem (CID 9111149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).