N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide

C13H16N4O — CID 84760541

IUPACN-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ncc(CCN)[nH]2)c1
InChIInChI=1S/C13H16N4O/c1-9(18)16-11-4-2-3-10(7-11)13-15-8-12(17-13)5-6-14/h2-4,7-8H,5-6,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyBIKDSMSDYWQYCP-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.54
Rot. Bonds4

About N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide

N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide (PubChem CID 84760541) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide
PubChem CID84760541
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ncc(CCN)[nH]2)c1
InChIInChI=1S/C13H16N4O/c1-9(18)16-11-4-2-3-10(7-11)13-15-8-12(17-13)5-6-14/h2-4,7-8H,5-6,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyBIKDSMSDYWQYCP-UHFFFAOYSA-N
XLogP1.54
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110666440
N-[3-(3-aminophenyl)phenyl]acetamide
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N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
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2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride
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3-(5-propyl-1H-imidazol-2-yl)aniline
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1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine
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N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide
CID 39773386
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
2-amino-N-[3-(1H-imidazol-2-yl)phenyl]acetamide
CID 110470050
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CID 159322428

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide (CID 84760541) is N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ncc(CCN)[nH]2)c1.
What is the InChIKey of N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide?
The InChIKey is BIKDSMSDYWQYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(18)16-11-4-2-3-10(7-11)13-15-8-12(17-13)5-6-14/h2-4,7-8H,5-6,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide?
N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 84760541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).