1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one

C25H31N3O2 — CID 67456859

IUPAC1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one
SMILESCC(C)(C)c1nc(-c2ccc(=O)n(Cc3ccccc3)c2)cn1CC1CCOCC1
InChIInChI=1S/C25H31N3O2/c1-25(2,3)24-26-22(18-28(24)16-20-11-13-30-14-12-20)21-9-10-23(29)27(17-21)15-19-7-5-4-6-8-19/h4-10,17-18,20H,11-16H2,1-3H3
InChIKeyUDNNTIJVMOBOOL-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.48
Rot. Bonds5

About 1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one

1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one (PubChem CID 67456859) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one
PubChem CID67456859
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one
SMILESCC(C)(C)c1nc(-c2ccc(=O)n(Cc3ccccc3)c2)cn1CC1CCOCC1
InChIInChI=1S/C25H31N3O2/c1-25(2,3)24-26-22(18-28(24)16-20-11-13-30-14-12-20)21-9-10-23(29)27(17-21)15-19-7-5-4-6-8-19/h4-10,17-18,20H,11-16H2,1-3H3
InChIKeyUDNNTIJVMOBOOL-UHFFFAOYSA-N
XLogP4.48
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole
CID 67456732
2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole
CID 67456897
2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine
CID 87407652
1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine
CID 67457722
3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-ethyl-N-methylbenzamide;hydrochloride
CID 67457801
3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine
CID 67453486
4-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 87407869
5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide
CID 67459280
ethyl 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-1,2-oxazole-3-carboxylate
CID 67456293
6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide
CID 67461504
1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one
CID 69442572
5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one
CID 134553560

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one?
The IUPAC name of 1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one (CID 67456859) is 1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one is CC(C)(C)c1nc(-c2ccc(=O)n(Cc3ccccc3)c2)cn1CC1CCOCC1.
What is the InChIKey of 1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one?
The InChIKey is UDNNTIJVMOBOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-25(2,3)24-26-22(18-28(24)16-20-11-13-30-14-12-20)21-9-10-23(29)27(17-21)15-19-7-5-4-6-8-19/h4-10,17-18,20H,11-16H2,1-3H3.
What are the key properties of 1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one?
1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one has a molecular weight of 405.54 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one is sourced from PubChem (CID 67456859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).