2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine

C14H14N4 — CID 79821064

IUPAC2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCc1ccc(Cc2nc3nc(N)ccc3[nH]2)cc1
InChIInChI=1S/C14H14N4/c1-9-2-4-10(5-3-9)8-13-16-11-6-7-12(15)17-14(11)18-13/h2-7H,8H2,1H3,(H3,15,16,17,18)
InChIKeyDTRQOYGHINQUCB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.44
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine

2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821064) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821064
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCc1ccc(Cc2nc3nc(N)ccc3[nH]2)cc1
InChIInChI=1S/C14H14N4/c1-9-2-4-10(5-3-9)8-13-16-11-6-7-12(15)17-14(11)18-13/h2-7H,8H2,1H3,(H3,15,16,17,18)
InChIKeyDTRQOYGHINQUCB-UHFFFAOYSA-N
XLogP2.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820939
2-(methoxymethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821303
2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821236
2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821282
2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 80741043
2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821394
2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 81072327
2-(5-aminopentyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820779
2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821222
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65482700
2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821707

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821064) is 2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is Cc1ccc(Cc2nc3nc(N)ccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is DTRQOYGHINQUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-2-4-10(5-3-9)8-13-16-11-6-7-12(15)17-14(11)18-13/h2-7H,8H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 238.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).