N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine

C26H29N3O — CID 4031858

IUPACN-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)Nc1c(CCc2ccccc2)nc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C26H29N3O/c1-26(2,3)28-24-22(17-16-20-11-6-4-7-12-20)27-25-23(15-10-18-29(24)25)30-19-21-13-8-5-9-14-21/h4-15,18,28H,16-17,19H2,1-3H3
InChIKeyIIRRSPKSPKSPIT-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.91
Rot. Bonds7

About N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine

N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine (PubChem CID 4031858) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
PubChem CID4031858
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)Nc1c(CCc2ccccc2)nc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C26H29N3O/c1-26(2,3)28-24-22(17-16-20-11-6-4-7-12-20)27-25-23(15-10-18-29(24)25)30-19-21-13-8-5-9-14-21/h4-15,18,28H,16-17,19H2,1-3H3
InChIKeyIIRRSPKSPKSPIT-UHFFFAOYSA-N
XLogP5.91
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 3939760
N-tert-butyl-2-(2-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 4644219
2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxy-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 69322405
N-benzyl-2-(2-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 3532130
N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 3619073
ethyl 2-[(2-phenyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738205
N-(2,6-dimethylphenyl)-8-phenylmethoxy-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 5241001
2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid
CID 22591926
N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 42738330
3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine
CID 101390623
2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 57261502
ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 3983892

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine (CID 4031858) is N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine is CC(C)(C)Nc1c(CCc2ccccc2)nc2c(OCc3ccccc3)cccn12.
What is the InChIKey of N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
The InChIKey is IIRRSPKSPKSPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-26(2,3)28-24-22(17-16-20-11-6-4-7-12-20)27-25-23(15-10-18-29(24)25)30-19-21-13-8-5-9-14-21/h4-15,18,28H,16-17,19H2,1-3H3.
What are the key properties of N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine has a molecular weight of 399.54 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 4031858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).