N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide

C22H26N4O — CID 70166673

IUPACN-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide
SMILESCCc1nc(-c2cccc(N(Cc3ccccc3)C(C)=O)c2)cn1N(C)C
InChIInChI=1S/C22H26N4O/c1-5-22-23-21(16-26(22)24(3)4)19-12-9-13-20(14-19)25(17(2)27)15-18-10-7-6-8-11-18/h6-14,16H,5,15H2,1-4H3
InChIKeyMRMUBQHAKRGFBQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.86
Rot. Bonds6

About N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide

N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide (PubChem CID 70166673) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide
PubChem CID70166673
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide
SMILESCCc1nc(-c2cccc(N(Cc3ccccc3)C(C)=O)c2)cn1N(C)C
InChIInChI=1S/C22H26N4O/c1-5-22-23-21(16-26(22)24(3)4)19-12-9-13-20(14-19)25(17(2)27)15-18-10-7-6-8-11-18/h6-14,16H,5,15H2,1-4H3
InChIKeyMRMUBQHAKRGFBQ-UHFFFAOYSA-N
XLogP3.86
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10995887
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N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen
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N-benzyl-N-(2,4-dimethyl-6-phenylphenyl)acetamide
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2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
benzyl-(3-hydroxyphenyl)carbamic acid
CID 71093078
N-benzyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271548
2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid
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N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide
CID 42789521
N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide
CID 172635925

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide?
The IUPAC name of N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide (CID 70166673) is N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide is CCc1nc(-c2cccc(N(Cc3ccccc3)C(C)=O)c2)cn1N(C)C.
What is the InChIKey of N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide?
The InChIKey is MRMUBQHAKRGFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-5-22-23-21(16-26(22)24(3)4)19-12-9-13-20(14-19)25(17(2)27)15-18-10-7-6-8-11-18/h6-14,16H,5,15H2,1-4H3.
What are the key properties of N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide?
N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide has a molecular weight of 362.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 70166673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).