1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine

C29H31N5O3 — CID 166187575

IUPAC1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine
SMILESCOc1cc(OC)cc(C(NCc2ccc(OCc3cn4cccc(C)c4n3)cc2)c2nccn2C)c1
InChIInChI=1S/C29H31N5O3/c1-20-6-5-12-34-18-23(32-28(20)34)19-37-24-9-7-21(8-10-24)17-31-27(29-30-11-13-33(29)2)22-14-25(35-3)16-26(15-22)36-4/h5-16,18,27,31H,17,19H2,1-4H3
InChIKeyQIDWKQBUEFRNPW-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.85
Rot. Bonds10

About 1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine

1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 166187575) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine
PubChem CID166187575
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC Name1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine
SMILESCOc1cc(OC)cc(C(NCc2ccc(OCc3cn4cccc(C)c4n3)cc2)c2nccn2C)c1
InChIInChI=1S/C29H31N5O3/c1-20-6-5-12-34-18-23(32-28(20)34)19-37-24-9-7-21(8-10-24)17-31-27(29-30-11-13-33(29)2)22-14-25(35-3)16-26(15-22)36-4/h5-16,18,27,31H,17,19H2,1-4H3
InChIKeyQIDWKQBUEFRNPW-UHFFFAOYSA-N
XLogP4.85
TPSA74.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine (CID 166187575) is 1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine is COc1cc(OC)cc(C(NCc2ccc(OCc3cn4cccc(C)c4n3)cc2)c2nccn2C)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is QIDWKQBUEFRNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-20-6-5-12-34-18-23(32-28(20)34)19-37-24-9-7-21(8-10-24)17-31-27(29-30-11-13-33(29)2)22-14-25(35-3)16-26(15-22)36-4/h5-16,18,27,31H,17,19H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine?
1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 497.60 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 166187575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).