N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide

C19H17N3O3 — CID 56748652

IUPACN-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nccn2Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H17N3O3/c1-13(23)21-16-5-3-15(4-6-16)19-20-8-9-22(19)11-14-2-7-17-18(10-14)25-12-24-17/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyQFHFDXIBHQYCDR-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.29
Rot. Bonds4

About N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide

N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide (PubChem CID 56748652) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide
PubChem CID56748652
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nccn2Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H17N3O3/c1-13(23)21-16-5-3-15(4-6-16)19-20-8-9-22(19)11-14-2-7-17-18(10-14)25-12-24-17/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyQFHFDXIBHQYCDR-UHFFFAOYSA-N
XLogP3.29
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499
N-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanylacetamide
CID 7151096
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
N-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenyl]acetamide
CID 17462314
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
CID 82559349
2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7151100
N-[4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 117083810
4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468
N-[(3S,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 72838705
N-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-2-yl]phenyl]acetamide
CID 56867925
3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide
CID 70749578
2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301058

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide (CID 56748652) is N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nccn2Cc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide?
The InChIKey is QFHFDXIBHQYCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(23)21-16-5-3-15(4-6-16)19-20-8-9-22(19)11-14-2-7-17-18(10-14)25-12-24-17/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide?
N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide has a molecular weight of 335.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 56748652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).