2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole

C18H21N5O — CID 75475861

IUPAC2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCc3c(ncn3CCc3ccccc3)C2)o1
InChIInChI=1S/C18H21N5O/c1-14-20-21-18(24-14)12-22-9-8-17-16(11-22)19-13-23(17)10-7-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKeyGBRASHYONMHQST-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.38
Rot. Bonds5

About 2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole

2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole (PubChem CID 75475861) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole
PubChem CID75475861
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCc3c(ncn3CCc3ccccc3)C2)o1
InChIInChI=1S/C18H21N5O/c1-14-20-21-18(24-14)12-22-9-8-17-16(11-22)19-13-23(17)10-7-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKeyGBRASHYONMHQST-UHFFFAOYSA-N
XLogP2.38
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole (CID 75475861) is 2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCc3c(ncn3CCc3ccccc3)C2)o1.
What is the InChIKey of 2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is GBRASHYONMHQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-14-20-21-18(24-14)12-22-9-8-17-16(11-22)19-13-23(17)10-7-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3.
What are the key properties of 2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 323.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 75475861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).