6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one

C29H30N4O2 — CID 18754026

IUPAC6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
SMILESCCN(C)Cc1ccccc1-c1ccc(C2NCc3ncn(-c4ccc(OC)cc4)c3C2=O)cc1
InChIInChI=1S/C29H30N4O2/c1-4-32(2)18-22-7-5-6-8-25(22)20-9-11-21(12-10-20)27-29(34)28-26(17-30-27)31-19-33(28)23-13-15-24(35-3)16-14-23/h5-16,19,27,30H,4,17-18H2,1-3H3
InChIKeyKCTWOANOVSGDBT-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.03
Rot. Bonds7

About 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one

6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18754026) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
PubChem CID18754026
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
SMILESCCN(C)Cc1ccccc1-c1ccc(C2NCc3ncn(-c4ccc(OC)cc4)c3C2=O)cc1
InChIInChI=1S/C29H30N4O2/c1-4-32(2)18-22-7-5-6-8-25(22)20-9-11-21(12-10-20)27-29(34)28-26(17-30-27)31-19-33(28)23-13-15-24(35-3)16-14-23/h5-16,19,27,30H,4,17-18H2,1-3H3
InChIKeyKCTWOANOVSGDBT-UHFFFAOYSA-N
XLogP5.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
The IUPAC name of 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (CID 18754026) is 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one.
What is the SMILES notation for 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
The canonical SMILES for 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is CCN(C)Cc1ccccc1-c1ccc(C2NCc3ncn(-c4ccc(OC)cc4)c3C2=O)cc1.
What is the InChIKey of 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
The InChIKey is KCTWOANOVSGDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-4-32(2)18-22-7-5-6-8-25(22)20-9-11-21(12-10-20)27-29(34)28-26(17-30-27)31-19-33(28)23-13-15-24(35-3)16-14-23/h5-16,19,27,30H,4,17-18H2,1-3H3.
What are the key properties of 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 466.59 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18754026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).