1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one

C22H26N4O — CID 142331779

IUPAC1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one
SMILESCC1=CC(C)C(Nc2nc(=O)cc3n2C(c2ccccc2)CN3C)C=C1C
InChIInChI=1S/C22H26N4O/c1-14-10-16(3)18(11-15(14)2)23-22-24-20(27)12-21-25(4)13-19(26(21)22)17-8-6-5-7-9-17/h5-12,16,18-19H,13H2,1-4H3,(H,23,24,27)
InChIKeyNKAANIWODRLFMS-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.61
Rot. Bonds3

About 1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one

1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one (PubChem CID 142331779) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one
PubChem CID142331779
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one
SMILESCC1=CC(C)C(Nc2nc(=O)cc3n2C(c2ccccc2)CN3C)C=C1C
InChIInChI=1S/C22H26N4O/c1-14-10-16(3)18(11-15(14)2)23-22-24-20(27)12-21-25(4)13-19(26(21)22)17-8-6-5-7-9-17/h5-12,16,18-19H,13H2,1-4H3,(H,23,24,27)
InChIKeyNKAANIWODRLFMS-UHFFFAOYSA-N
XLogP3.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one?
The IUPAC name of 1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one (CID 142331779) is 1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one?
The canonical SMILES for 1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one is CC1=CC(C)C(Nc2nc(=O)cc3n2C(c2ccccc2)CN3C)C=C1C.
What is the InChIKey of 1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one?
The InChIKey is NKAANIWODRLFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-14-10-16(3)18(11-15(14)2)23-22-24-20(27)12-21-25(4)13-19(26(21)22)17-8-6-5-7-9-17/h5-12,16,18-19H,13H2,1-4H3,(H,23,24,27).
What are the key properties of 1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one?
1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one has a molecular weight of 362.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one is sourced from PubChem (CID 142331779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).