3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole

C19H16N4O2 — CID 100675712

IUPAC3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(c1)OCC[C@H]2c1nc(Cn2cnc3ccccc32)no1
InChIInChI=1S/C19H16N4O2/c1-4-8-17-13(5-1)14(9-10-24-17)19-21-18(22-25-19)11-23-12-20-15-6-2-3-7-16(15)23/h1-8,12,14H,9-11H2/t14-/m1/s1
InChIKeyWDNTXQLOZBULOL-CQSZACIVSA-N
MW332.36 g/mol
LogP3.38
Rot. Bonds3

About 3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole

3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole (PubChem CID 100675712) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole
PubChem CID100675712
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(c1)OCC[C@H]2c1nc(Cn2cnc3ccccc32)no1
InChIInChI=1S/C19H16N4O2/c1-4-8-17-13(5-1)14(9-10-24-17)19-21-18(22-25-19)11-23-12-20-15-6-2-3-7-16(15)23/h1-8,12,14H,9-11H2/t14-/m1/s1
InChIKeyWDNTXQLOZBULOL-CQSZACIVSA-N
XLogP3.38
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzimidazol-1-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 139002569
3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 112571434
[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 114218088
3-(1-chloroethyl)-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 102660966
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096385
2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 119140734
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 63710487
5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 97011260
2-[3-(benzimidazol-1-yl)propyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111597758
3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole
CID 139004051
3-(3,4-dihydro-2H-chromen-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914990
[(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate
CID 25424819

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole (CID 100675712) is 3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole is c1ccc2c(c1)OCC[C@H]2c1nc(Cn2cnc3ccccc32)no1.
What is the InChIKey of 3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole?
The InChIKey is WDNTXQLOZBULOL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-4-8-17-13(5-1)14(9-10-24-17)19-21-18(22-25-19)11-23-12-20-15-6-2-3-7-16(15)23/h1-8,12,14H,9-11H2/t14-/m1/s1.
What are the key properties of 3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole?
3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole has a molecular weight of 332.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 100675712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).