8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

C25H22ClFN6O — CID 155787980

IUPAC8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1
InChIInChI=1S/C25H22ClFN6O/c1-32(2)13-15-3-4-17(21(26)9-15)20-12-30-25(33-14-16(10-28)31-24(20)33)29-11-19-18-7-8-34-23(18)6-5-22(19)27/h3-6,9,12,14H,7-8,11,13H2,1-2H3,(H,29,30)
InChIKeyRGZMOVDUMVFHTI-UHFFFAOYSA-N
MW476.94 g/mol
LogP4.67
Rot. Bonds6

About 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155787980) has the molecular formula C25H22ClFN6O and a molecular weight of 476.94 g/mol. Its IUPAC name is 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155787980
Molecular FormulaC25H22ClFN6O
Molecular Weight476.94 g/mol
Exact Mass476.15
IUPAC Name8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1
InChIInChI=1S/C25H22ClFN6O/c1-32(2)13-15-3-4-17(21(26)9-15)20-12-30-25(33-14-16(10-28)31-24(20)33)29-11-19-18-7-8-34-23(18)6-5-22(19)27/h3-6,9,12,14H,7-8,11,13H2,1-2H3,(H,29,30)
InChIKeyRGZMOVDUMVFHTI-UHFFFAOYSA-N
XLogP4.67
TPSA78.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.94
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155787980) is 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1.
What is the InChIKey of 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is RGZMOVDUMVFHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN6O/c1-32(2)13-15-3-4-17(21(26)9-15)20-12-30-25(33-14-16(10-28)31-24(20)33)29-11-19-18-7-8-34-23(18)6-5-22(19)27/h3-6,9,12,14H,7-8,11,13H2,1-2H3,(H,29,30).
What are the key properties of 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 476.94 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155787980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).