2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine

C22H19ClFN5O — CID 155382874

IUPAC2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESNCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C22H19ClFN5O/c23-18-4-2-1-3-14(18)17-11-27-22(29-12-13(9-25)28-21(17)29)26-10-16-15-7-8-30-20(15)6-5-19(16)24/h1-6,11-12H,7-10,25H2,(H,26,27)
InChIKeyJFJYITFQOANYEA-UHFFFAOYSA-N
MW423.88 g/mol
LogP4.19
Rot. Bonds5

About 2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine

2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 155382874) has the molecular formula C22H19ClFN5O and a molecular weight of 423.88 g/mol. Its IUPAC name is 2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine
PubChem CID155382874
Molecular FormulaC22H19ClFN5O
Molecular Weight423.88 g/mol
Exact Mass423.13
IUPAC Name2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESNCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C22H19ClFN5O/c23-18-4-2-1-3-14(18)17-11-27-22(29-12-13(9-25)28-21(17)29)26-10-16-15-7-8-30-20(15)6-5-19(16)24/h1-6,11-12H,7-10,25H2,(H,26,27)
InChIKeyJFJYITFQOANYEA-UHFFFAOYSA-N
XLogP4.19
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine (CID 155382874) is 2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine is NCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3Cl)c2n1.
What is the InChIKey of 2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is JFJYITFQOANYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O/c23-18-4-2-1-3-14(18)17-11-27-22(29-12-13(9-25)28-21(17)29)26-10-16-15-7-8-30-20(15)6-5-19(16)24/h1-6,11-12H,7-10,25H2,(H,26,27).
What are the key properties of 2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?
2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 423.88 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-8-(2-chlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 155382874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).