dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C18H19N3O4 — CID 685415

IUPACdimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O4/c1-9-13(17(22)24-3)15(14(10(2)19-9)18(23)25-4)16-20-11-7-5-6-8-12(11)21-16/h5-8,15,19H,1-4H3,(H,20,21)
InChIKeyAUEWYCHXXSKYIZ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.14
Rot. Bonds3

About dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 685415) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID685415
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namedimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O4/c1-9-13(17(22)24-3)15(14(10(2)19-9)18(23)25-4)16-20-11-7-5-6-8-12(11)21-16/h5-8,15,19H,1-4H3,(H,20,21)
InChIKeyAUEWYCHXXSKYIZ-UHFFFAOYSA-N
XLogP2.14
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate
CID 3240762
butyl 3-(1H-benzo[d]imidazol-2-yl)propanoate hydrochloride
CID 6603453
1h-Benzimidazole-2-propanoic acid, ethyl ester
CID 228135
3-(1H-3,1-benzimidazol-3-ium-2-yl)propanoate
CID 4739544
diethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 1355281
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((methoxycarbonyl)amino)-1H-benzimidazol-5-yl)-2,6-dimethyl-, dimethyl ester
CID 164125
methyl 3-(1H-benzimidazol-2-yl)propanoate
CID 1417878
methyl 5-[4-(1H-benzimidazol-2-yl)anilino]-5-oxopentanoate
CID 118717470
3-(1H-benzimidazol-2-yl)propanoate
CID 4739543
butyl 3-(1H-benzimidazol-2-yl)propanoate
CID 659155
methyl 4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate
CID 6487583
dimethyl 1-(1H-benzimidazol-2-ylamino)-4-oxo-1,4-dihydropyridine-3,5-dicarboxylate
CID 16459878

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 685415) is dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1nc2ccccc2[nH]1.
What is the InChIKey of dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is AUEWYCHXXSKYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-9-13(17(22)24-3)15(14(10(2)19-9)18(23)25-4)16-20-11-7-5-6-8-12(11)21-16/h5-8,15,19H,1-4H3,(H,20,21).
What are the key properties of dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 341.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 685415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).