2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide

C16H16N4O2 — CID 84595360

IUPAC2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccccc2NCc2ccco2)[nH]1
InChIInChI=1S/C16H16N4O2/c1-11-9-18-16(19-11)20-15(21)13-6-2-3-7-14(13)17-10-12-5-4-8-22-12/h2-9,17H,10H2,1H3,(H2,18,19,20,21)
InChIKeyJAYHVGHSNBZCAX-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.18
Rot. Bonds5

About 2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide

2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide (PubChem CID 84595360) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide
PubChem CID84595360
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccccc2NCc2ccco2)[nH]1
InChIInChI=1S/C16H16N4O2/c1-11-9-18-16(19-11)20-15(21)13-6-2-3-7-14(13)17-10-12-5-4-8-22-12/h2-9,17H,10H2,1H3,(H2,18,19,20,21)
InChIKeyJAYHVGHSNBZCAX-UHFFFAOYSA-N
XLogP3.18
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide
CID 112981783
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 7150002
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7602503
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 51180458
2-fluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011312
2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide
CID 119051228
2-(furan-2-ylmethylamino)-N-[(2R)-1-hydroxypent-4-en-2-yl]benzamide
CID 124842453
2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011315
N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9103530
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 34657042
N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255149

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide (CID 84595360) is 2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide is Cc1cnc(NC(=O)c2ccccc2NCc2ccco2)[nH]1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide?
The InChIKey is JAYHVGHSNBZCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-9-18-16(19-11)20-15(21)13-6-2-3-7-14(13)17-10-12-5-4-8-22-12/h2-9,17H,10H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide?
2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide has a molecular weight of 296.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 84595360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).