5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine

C20H20N4O2 — CID 59435391

IUPAC5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2ccc3c(c2)/C(=C/c2cnc[nH]2)CCC3)c(OC)n1
InChIInChI=1S/C20H20N4O2/c1-25-19-18(11-22-20(24-19)26-2)15-7-6-13-4-3-5-14(17(13)9-15)8-16-10-21-12-23-16/h6-12H,3-5H2,1-2H3,(H,21,23)/b14-8+
InChIKeyAGKBESDHKVBHPH-RIYZIHGNSA-N
MW348.41 g/mol
LogP3.76
Rot. Bonds4

About 5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine

5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine (PubChem CID 59435391) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine
PubChem CID59435391
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2ccc3c(c2)/C(=C/c2cnc[nH]2)CCC3)c(OC)n1
InChIInChI=1S/C20H20N4O2/c1-25-19-18(11-22-20(24-19)26-2)15-7-6-13-4-3-5-14(17(13)9-15)8-16-10-21-12-23-16/h6-12H,3-5H2,1-2H3,(H,21,23)/b14-8+
InChIKeyAGKBESDHKVBHPH-RIYZIHGNSA-N
XLogP3.76
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Tert-Butyl-4-(6-Methoxynaphthalen-2-Yl)-3h-Imidazol-4-Yl)pyridin-2-Amine
CID 56928046
4-[2-tert-butyl-4-(6-methoxy-2-naphthyl)-1H-imidazol-5-yl]pyridine
CID 9820123
(5-Mesityl-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11718004
2-[3-(1H-imidazol-5-yl)propyl]-1-[3-(4-methoxyphenyl)-3-pyridin-2-ylpropyl]guanidine
CID 14660350
4-ethoxy-6-(4-(4-methyl-1H-imidazol-5-yl)piperidin-1-yl)-5-phenylpyrimidine
CID 20779044
4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine
CID 57341683
N-[2-(1H-imidazol-5-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine
CID 3232954
N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine
CID 3235185
5-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)phenyl)pyrimidin-2-amine
CID 44408011
5-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)phenyl)pyrimidine
CID 44408041
4-(4-(6-methoxynaphthalen-2-yl)-2-o-tolyl-1H-imidazol-5-yl)pyridine
CID 44433566
4-(2-(2-ethylphenyl)-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl)pyridine
CID 44433572

Frequently Asked Questions

What is the IUPAC name of 5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine?
The IUPAC name of 5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine (CID 59435391) is 5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine is COc1ncc(-c2ccc3c(c2)/C(=C/c2cnc[nH]2)CCC3)c(OC)n1.
What is the InChIKey of 5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine?
The InChIKey is AGKBESDHKVBHPH-RIYZIHGNSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-25-19-18(11-22-20(24-19)26-2)15-7-6-13-4-3-5-14(17(13)9-15)8-16-10-21-12-23-16/h6-12H,3-5H2,1-2H3,(H,21,23)/b14-8+.
What are the key properties of 5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine?
5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine has a molecular weight of 348.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine is sourced from PubChem (CID 59435391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).