N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide

C18H16N4O2 — CID 51090066

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(NCC1Cc2ccccc2O1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H16N4O2/c23-18(14-5-6-20-17(10-14)22-8-7-19-12-22)21-11-15-9-13-3-1-2-4-16(13)24-15/h1-8,10,12,15H,9,11H2,(H,21,23)
InChIKeyOHDKEIMBJAPVQR-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.00
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 51090066) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID51090066
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(NCC1Cc2ccccc2O1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H16N4O2/c23-18(14-5-6-20-17(10-14)22-8-7-19-12-22)21-11-15-9-13-3-1-2-4-16(13)24-15/h1-8,10,12,15H,9,11H2,(H,21,23)
InChIKeyOHDKEIMBJAPVQR-UHFFFAOYSA-N
XLogP2.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090584
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
CID 62232678
(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 75524587
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea
CID 51083645
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 47026492
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695
2-imidazol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 51085895
6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
CID 37298499
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 86938103

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide (CID 51090066) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide is O=C(NCC1Cc2ccccc2O1)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is OHDKEIMBJAPVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-18(14-5-6-20-17(10-14)22-8-7-19-12-22)21-11-15-9-13-3-1-2-4-16(13)24-15/h1-8,10,12,15H,9,11H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 51090066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).