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

C21H20N4O — CID 90368145

IUPACN,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2n1
InChIInChI=1S/C21H20N4O/c1-25(2)19-13-12-18-21(23-19)24-20(22-18)16-8-10-17(11-9-16)26-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,22,23,24)
InChIKeyGXYPJBDQFLBSQF-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.27
Rot. Bonds5

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

N,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 90368145) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID90368145
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2n1
InChIInChI=1S/C21H20N4O/c1-25(2)19-13-12-18-21(23-19)24-20(22-18)16-8-10-17(11-9-16)26-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,22,23,24)
InChIKeyGXYPJBDQFLBSQF-UHFFFAOYSA-N
XLogP4.27
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 90368145) is N,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine is CN(C)c1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2n1.
What is the InChIKey of N,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is GXYPJBDQFLBSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-25(2)19-13-12-18-21(23-19)24-20(22-18)16-8-10-17(11-9-16)26-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,22,23,24).
What are the key properties of N,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
N,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 344.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 90368145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).