N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide

C14H18N4O — CID 106562341

IUPACN-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCn1cc(C)nc1Nc1ccccc1
InChIInChI=1S/C14H18N4O/c1-11-10-18(9-8-15-12(2)19)14(16-11)17-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,15,19)(H,16,17)
InChIKeySZWZMUUJUKKFLM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.07
Rot. Bonds5

About N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide

N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide (PubChem CID 106562341) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide
PubChem CID106562341
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCn1cc(C)nc1Nc1ccccc1
InChIInChI=1S/C14H18N4O/c1-11-10-18(9-8-15-12(2)19)14(16-11)17-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,15,19)(H,16,17)
InChIKeySZWZMUUJUKKFLM-UHFFFAOYSA-N
XLogP2.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 320165
Imidazole-4-carboxanilide
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CID 135489188
2-anilino-9-[4-[ethyl(methyl)amino]butyl]-1H-purin-6-one
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2-anilino-9-[4-(diethylamino)butyl]-1H-purin-6-one
CID 135497121
N-(1H-imidazol-4-ylmethyl)aniline
CID 13178307
4-(2-(Phenylamino)ethyl)-1H-imidazole
CID 46222042
3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(3-fluorophenyl)propanamide
CID 9862335
N-(1-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)azetidin-3-yl)acetamide
CID 44578692
N-((R)-1-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)pyrrolidin-3-yl)acetamide
CID 44578693
N-[3-(1H-imidazol-1-yl)propyl]-N'-phenylethanediamide
CID 3107634
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10563032

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide (CID 106562341) is N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide is CC(=O)NCCn1cc(C)nc1Nc1ccccc1.
What is the InChIKey of N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide?
The InChIKey is SZWZMUUJUKKFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-10-18(9-8-15-12(2)19)14(16-11)17-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide?
N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 106562341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).