N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C20H32N4O2 — CID 46522071

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NCCN(C(C)C)C(C)C)c2ccccc21
InChIInChI=1S/C20H32N4O2/c1-6-12-23-17-9-7-8-10-18(17)24(20(23)26)14-19(25)21-11-13-22(15(2)3)16(4)5/h7-10,15-16H,6,11-14H2,1-5H3,(H,21,25)
InChIKeyXUXQDQALHUKKSI-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.45
Rot. Bonds9

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 46522071) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
PubChem CID46522071
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NCCN(C(C)C)C(C)C)c2ccccc21
InChIInChI=1S/C20H32N4O2/c1-6-12-23-17-9-7-8-10-18(17)24(20(23)26)14-19(25)21-11-13-22(15(2)3)16(4)5/h7-10,15-16H,6,11-14H2,1-5H3,(H,21,25)
InChIKeyXUXQDQALHUKKSI-UHFFFAOYSA-N
XLogP2.45
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46522148
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46515927
N-[2-(3-fluorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 18100521
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 18114716
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 17395792
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 46603243
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 18130049
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 119406011
2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide
CID 43035304
N-[1-(furan-2-yl)propan-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 47026554
2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide
CID 42792947

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 46522071) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)NCCN(C(C)C)C(C)C)c2ccccc21.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The InChIKey is XUXQDQALHUKKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-6-12-23-17-9-7-8-10-18(17)24(20(23)26)14-19(25)21-11-13-22(15(2)3)16(4)5/h7-10,15-16H,6,11-14H2,1-5H3,(H,21,25).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 360.50 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 46522071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).