methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate

C18H18N4O3 — CID 33440660

IUPACmethyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCn2c(C)nc3ccccc32)nc1
InChIInChI=1S/C18H18N4O3/c1-12-21-14-5-3-4-6-16(14)22(12)10-9-19-17(23)15-8-7-13(11-20-15)18(24)25-2/h3-8,11H,9-10H2,1-2H3,(H,19,23)
InChIKeyVFPGEAWFRXIXET-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.96
Rot. Bonds5

About methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate

methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate (PubChem CID 33440660) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate
PubChem CID33440660
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Namemethyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCn2c(C)nc3ccccc32)nc1
InChIInChI=1S/C18H18N4O3/c1-12-21-14-5-3-4-6-16(14)22(12)10-9-19-17(23)15-8-7-13(11-20-15)18(24)25-2/h3-8,11H,9-10H2,1-2H3,(H,19,23)
InChIKeyVFPGEAWFRXIXET-UHFFFAOYSA-N
XLogP1.96
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
CID 40716431
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 26444068
5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 39459014
methyl 6-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 32657840
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 122141115
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 18206073
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate (CID 33440660) is methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NCCn2c(C)nc3ccccc32)nc1.
What is the InChIKey of methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate?
The InChIKey is VFPGEAWFRXIXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-21-14-5-3-4-6-16(14)22(12)10-9-19-17(23)15-8-7-13(11-20-15)18(24)25-2/h3-8,11H,9-10H2,1-2H3,(H,19,23).
What are the key properties of methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate?
methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate has a molecular weight of 338.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 33440660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).