N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine

C17H18N4O — CID 171328969

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine
SMILESCN(Cc1ccc2c(c1)CCO2)c1nc2cccnc2n1C
InChIInChI=1S/C17H18N4O/c1-20(11-12-5-6-15-13(10-12)7-9-22-15)17-19-14-4-3-8-18-16(14)21(17)2/h3-6,8,10H,7,9,11H2,1-2H3
InChIKeySDSJZPCZZTWTRG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.54
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine (PubChem CID 171328969) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine
PubChem CID171328969
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine
SMILESCN(Cc1ccc2c(c1)CCO2)c1nc2cccnc2n1C
InChIInChI=1S/C17H18N4O/c1-20(11-12-5-6-15-13(10-12)7-9-22-15)17-19-14-4-3-8-18-16(14)21(17)2/h3-6,8,10H,7,9,11H2,1-2H3
InChIKeySDSJZPCZZTWTRG-UHFFFAOYSA-N
XLogP2.54
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine with MolForge

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine
CID 171329075
5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine
CID 171328577
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147996
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204974
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136296
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine
CID 99854678
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline
CID 43804020
1-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200729
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanenitrile
CID 115231859
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
CID 65446900

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine (CID 171328969) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine is CN(Cc1ccc2c(c1)CCO2)c1nc2cccnc2n1C.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is SDSJZPCZZTWTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-20(11-12-5-6-15-13(10-12)7-9-22-15)17-19-14-4-3-8-18-16(14)21(17)2/h3-6,8,10H,7,9,11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 171328969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).