N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C20H24N4O2 — CID 119527137

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCC(C)c1ccc(C(N)CNC(=O)Cn2c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C20H24N4O2/c1-13(2)14-7-9-15(10-8-14)16(21)11-22-19(25)12-24-18-6-4-3-5-17(18)23-20(24)26/h3-10,13,16H,11-12,21H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyWMRIGZAHEJPLDM-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.27
Rot. Bonds6

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 119527137) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID119527137
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCC(C)c1ccc(C(N)CNC(=O)Cn2c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C20H24N4O2/c1-13(2)14-7-9-15(10-8-14)16(21)11-22-19(25)12-24-18-6-4-3-5-17(18)23-20(24)26/h3-10,13,16H,11-12,21H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyWMRIGZAHEJPLDM-UHFFFAOYSA-N
XLogP2.27
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 119526495
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
N-[(2-fluorophenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195175
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112834288
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469
3-(2-aminopropyl)-1H-benzimidazol-2-one
CID 13174707
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid
CID 119232018
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide;hydrochloride
CID 119525884
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 119527141
N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride
CID 119571777

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 119527137) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is CC(C)c1ccc(C(N)CNC(=O)Cn2c(=O)[nH]c3ccccc32)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is WMRIGZAHEJPLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13(2)14-7-9-15(10-8-14)16(21)11-22-19(25)12-24-18-6-4-3-5-17(18)23-20(24)26/h3-10,13,16H,11-12,21H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 119527137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).