(2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone

C17H16N4O4 — CID 69038939

IUPAC(2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3ccncn3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C17H16N4O4/c1-23-13-6-10(7-14(24-2)16(13)25-3)15(22)12-8-19-17(21-12)11-4-5-18-9-20-11/h4-9H,1-3H3,(H,19,21)
InChIKeyUEBXSNDZHNWRKC-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.12
Rot. Bonds6

About (2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 69038939) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is (2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID69038939
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name(2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3ccncn3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C17H16N4O4/c1-23-13-6-10(7-14(24-2)16(13)25-3)15(22)12-8-19-17(21-12)11-4-5-18-9-20-11/h4-9H,1-3H3,(H,19,21)
InChIKeyUEBXSNDZHNWRKC-UHFFFAOYSA-N
XLogP2.12
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-pyrimidin-4-yl-1H-imidazole-5-carboxylate
CID 63989948
methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 160633416
[2-(4-nitrophenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69039473
[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53379371
[2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 66561353
[2-(2-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 175964433
[2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 176847170
(2-deuterio-3,4,5-trimethoxyphenyl)-[2-(1H-indol-3-yl)-1H-imidazol-5-yl]methanone
CID 176847172
(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364049
(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 151869443
(6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 56646815
pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride
CID 20833884

Frequently Asked Questions

What is the IUPAC name of (2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 69038939) is (2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cnc(-c3ccncn3)[nH]2)cc(OC)c1OC.
What is the InChIKey of (2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is UEBXSNDZHNWRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-23-13-6-10(7-14(24-2)16(13)25-3)15(22)12-8-19-17(21-12)11-4-5-18-9-20-11/h4-9H,1-3H3,(H,19,21).
What are the key properties of (2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 340.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 69038939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).