methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate

C14H14N4O2 — CID 115357586

IUPACmethyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(-c3cnn(C)c3C)nc12
InChIInChI=1S/C14H14N4O2/c1-8-10(7-15-18(8)2)13-16-11-6-4-5-9(12(11)17-13)14(19)20-3/h4-7H,1-3H3,(H,16,17)
InChIKeyWWSNQMJQQZTCLK-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.06
Rot. Bonds2

About methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate

methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate (PubChem CID 115357586) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate
PubChem CID115357586
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Namemethyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(-c3cnn(C)c3C)nc12
InChIInChI=1S/C14H14N4O2/c1-8-10(7-15-18(8)2)13-16-11-6-4-5-9(12(11)17-13)14(19)20-3/h4-7H,1-3H3,(H,16,17)
InChIKeyWWSNQMJQQZTCLK-UHFFFAOYSA-N
XLogP2.06
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylic acid
CID 55150088
methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357707
methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
CID 115357602
methyl 2-(5-bromofuran-2-yl)-1H-benzimidazole-4-carboxylate
CID 113293389
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
CID 115357533
methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate
CID 114560144
methyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 67201064
methyl 2-(4-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357577
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
methyl 2-formyl-1H-benzimidazole-4-carboxylate
CID 18354851
methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate
CID 115357561
methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate
CID 115357609

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate (CID 115357586) is methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate is COC(=O)c1cccc2[nH]c(-c3cnn(C)c3C)nc12.
What is the InChIKey of methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate?
The InChIKey is WWSNQMJQQZTCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-10(7-15-18(8)2)13-16-11-6-4-5-9(12(11)17-13)14(19)20-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate?
methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 115357586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).