methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate

C17H19N5O3 — CID 127266672

IUPACmethyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate
SMILESCOCc1nc(C)cc(NCc2nc3ccc(C(=O)OC)cc3[nH]2)n1
InChIInChI=1S/C17H19N5O3/c1-10-6-14(22-16(19-10)9-24-2)18-8-15-20-12-5-4-11(17(23)25-3)7-13(12)21-15/h4-7H,8-9H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyWDZODKWHSKZDML-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.21
Rot. Bonds6

About methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate

methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate (PubChem CID 127266672) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate
PubChem CID127266672
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Namemethyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate
SMILESCOCc1nc(C)cc(NCc2nc3ccc(C(=O)OC)cc3[nH]2)n1
InChIInChI=1S/C17H19N5O3/c1-10-6-14(22-16(19-10)9-24-2)18-8-15-20-12-5-4-11(17(23)25-3)7-13(12)21-15/h4-7H,8-9H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyWDZODKWHSKZDML-UHFFFAOYSA-N
XLogP2.21
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate with MolForge

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Related Compounds

methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
methyl 2-[(4-propan-2-ylphenyl)methyl]-3H-benzimidazole-5-carboxylate
CID 145226546
2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine
CID 139017886
[4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methylpyrimidin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117084999
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
ethyl 2-(chloromethyl)-3H-benzimidazole-5-carboxylate;hydrochloride
CID 166000746
2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine
CID 133375431
methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
CID 136663206
methyl 2-[[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3H-benzimidazole-5-carboxylate
CID 90737877
2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 83949197
methyl 3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112915578
methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate
CID 46995977

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate (CID 127266672) is methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate is COCc1nc(C)cc(NCc2nc3ccc(C(=O)OC)cc3[nH]2)n1.
What is the InChIKey of methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate?
The InChIKey is WDZODKWHSKZDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-6-14(22-16(19-10)9-24-2)18-8-15-20-12-5-4-11(17(23)25-3)7-13(12)21-15/h4-7H,8-9H2,1-3H3,(H,20,21)(H,18,19,22).
What are the key properties of methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate?
methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 127266672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).