2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

C12H18N4 — CID 79816441

IUPAC2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(C(C)(C)C)nc2n1
InChIInChI=1S/C12H18N4/c1-12(2,3)11-13-8-6-7-9(16(4)5)14-10(8)15-11/h6-7H,1-5H3,(H,13,14,15)
InChIKeyOPSMUSZFGJAYRC-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.32
Rot. Bonds1

About 2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79816441) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79816441
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(C(C)(C)C)nc2n1
InChIInChI=1S/C12H18N4/c1-12(2,3)11-13-8-6-7-9(16(4)5)14-10(8)15-11/h6-7H,1-5H3,(H,13,14,15)
InChIKeyOPSMUSZFGJAYRC-UHFFFAOYSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylbenzimidazole
CID 11984
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
1H-Benzimidazole-2-methanamine
CID 145820
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
2-tert-Butylbenzimidazole
CID 32366
2-(2'-Pyridyl)benzimidazole
CID 70821
1H-Benzimidazole-2-pentanamine
CID 162387
5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
2-Propyl-1H-benzimidazole
CID 21624
Imidazo(4,5-b)pyridine
CID 67504
7H-Adenine, N-(p-fluorophenyl)-
CID 51998

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79816441) is 2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is CN(C)c1ccc2[nH]c(C(C)(C)C)nc2n1.
What is the InChIKey of 2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is OPSMUSZFGJAYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-12(2,3)11-13-8-6-7-9(16(4)5)14-10(8)15-11/h6-7H,1-5H3,(H,13,14,15).
What are the key properties of 2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 218.30 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79816441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).