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

C16H18N4 — CID 79816370

IUPACN,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCc1ccccc1Cc1nc2nc(N(C)C)ccc2[nH]1
InChIInChI=1S/C16H18N4/c1-11-6-4-5-7-12(11)10-14-17-13-8-9-15(20(2)3)19-16(13)18-14/h4-9H,10H2,1-3H3,(H,17,18,19)
InChIKeyXRWOKYYEYHLZRZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.92
Rot. Bonds3

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

N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79816370) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79816370
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCc1ccccc1Cc1nc2nc(N(C)C)ccc2[nH]1
InChIInChI=1S/C16H18N4/c1-11-6-4-5-7-12(11)10-14-17-13-8-9-15(20(2)3)19-16(13)18-14/h4-9H,10H2,1-3H3,(H,17,18,19)
InChIKeyXRWOKYYEYHLZRZ-UHFFFAOYSA-N
XLogP2.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 79816370) is N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is Cc1ccccc1Cc1nc2nc(N(C)C)ccc2[nH]1.
What is the InChIKey of N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is XRWOKYYEYHLZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-6-4-5-7-12(11)10-14-17-13-8-9-15(20(2)3)19-16(13)18-14/h4-9H,10H2,1-3H3,(H,17,18,19).
What are the key properties of N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 266.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79816370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).