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

C21H18ClFN4O — CID 169007842

IUPAC2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole
SMILESCn1c(-c2ccccc2Cl)nc2c1CN(Cc1nc3c(F)cccc3o1)CC2
InChIInChI=1S/C21H18ClFN4O/c1-26-17-11-27(12-19-25-20-15(23)7-4-8-18(20)28-19)10-9-16(17)24-21(26)13-5-2-3-6-14(13)22/h2-8H,9-12H2,1H3
InChIKeyPEZZNDFKLCOWMG-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.58
Rot. Bonds3

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

2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole (PubChem CID 169007842) has the molecular formula C21H18ClFN4O and a molecular weight of 396.85 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole
PubChem CID169007842
Molecular FormulaC21H18ClFN4O
Molecular Weight396.85 g/mol
Exact Mass396.12
IUPAC Name2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole
SMILESCn1c(-c2ccccc2Cl)nc2c1CN(Cc1nc3c(F)cccc3o1)CC2
InChIInChI=1S/C21H18ClFN4O/c1-26-17-11-27(12-19-25-20-15(23)7-4-8-18(20)28-19)10-9-16(17)24-21(26)13-5-2-3-6-14(13)22/h2-8H,9-12H2,1H3
InChIKeyPEZZNDFKLCOWMG-UHFFFAOYSA-N
XLogP4.58
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole?
The IUPAC name of 2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole (CID 169007842) is 2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole is Cn1c(-c2ccccc2Cl)nc2c1CN(Cc1nc3c(F)cccc3o1)CC2.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole?
The InChIKey is PEZZNDFKLCOWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O/c1-26-17-11-27(12-19-25-20-15(23)7-4-8-18(20)28-19)10-9-16(17)24-21(26)13-5-2-3-6-14(13)22/h2-8H,9-12H2,1H3.
What are the key properties of 2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole?
2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole has a molecular weight of 396.85 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole is sourced from PubChem (CID 169007842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).