2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile

C20H20N6O2 — CID 170451678

IUPAC2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile
SMILESCNc1c(-c2cc3cc(OCCN(C)C)ccc3o2)nc2cc(C#N)ncn12
InChIInChI=1S/C20H20N6O2/c1-22-20-19(24-18-10-14(11-21)23-12-26(18)20)17-9-13-8-15(4-5-16(13)28-17)27-7-6-25(2)3/h4-5,8-10,12,22H,6-7H2,1-3H3
InChIKeyIBJLAMUJURFXJR-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.00
Rot. Bonds6

About 2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile

2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile (PubChem CID 170451678) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile
PubChem CID170451678
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile
SMILESCNc1c(-c2cc3cc(OCCN(C)C)ccc3o2)nc2cc(C#N)ncn12
InChIInChI=1S/C20H20N6O2/c1-22-20-19(24-18-10-14(11-21)23-12-26(18)20)17-9-13-8-15(4-5-16(13)28-17)27-7-6-25(2)3/h4-5,8-10,12,22H,6-7H2,1-3H3
InChIKeyIBJLAMUJURFXJR-UHFFFAOYSA-N
XLogP3.00
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile
CID 170451674
tert-butyl-[[2-(5-methoxy-1-benzofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamic acid
CID 130475704
3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 131975057
CID 88546864
CID 88546864
2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
CID 57439560
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine
CID 79490898
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
3-[[2-[4-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-methylamino]propoxy]phenyl]-1-benzofuran-6-yl]oxy]-N,N-dimethylpropan-1-amine
CID 70897010
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
2-[2-[3-[[2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-5-yl]oxy]propyl-(2-sulfidoethyl)amino]ethylamino]ethanethiolate;oxygen(2-);rhenium
CID 56964468
7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one
CID 110174145

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile?
The IUPAC name of 2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile (CID 170451678) is 2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile.
What is the SMILES notation for 2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile?
The canonical SMILES for 2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile is CNc1c(-c2cc3cc(OCCN(C)C)ccc3o2)nc2cc(C#N)ncn12.
What is the InChIKey of 2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile?
The InChIKey is IBJLAMUJURFXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-22-20-19(24-18-10-14(11-21)23-12-26(18)20)17-9-13-8-15(4-5-16(13)28-17)27-7-6-25(2)3/h4-5,8-10,12,22H,6-7H2,1-3H3.
What are the key properties of 2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile?
2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile has a molecular weight of 376.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile is sourced from PubChem (CID 170451678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).