methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate

C20H22N4O4 — CID 168991421

IUPACmethyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-n2cnc3cc(OC)c(OC)cc32)nc1N1CCCC1
InChIInChI=1S/C20H22N4O4/c1-26-16-10-14-15(11-17(16)27-2)24(12-21-14)18-7-6-13(20(25)28-3)19(22-18)23-8-4-5-9-23/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyIELHRDPIMYARCN-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.82
Rot. Bonds5

About methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate

methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate (PubChem CID 168991421) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate
PubChem CID168991421
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Namemethyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-n2cnc3cc(OC)c(OC)cc32)nc1N1CCCC1
InChIInChI=1S/C20H22N4O4/c1-26-16-10-14-15(11-17(16)27-2)24(12-21-14)18-7-6-13(20(25)28-3)19(22-18)23-8-4-5-9-23/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyIELHRDPIMYARCN-UHFFFAOYSA-N
XLogP2.82
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-chloro-2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 167311278
methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate
CID 167159073
methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate
CID 21020314
2-[(3-amino-1-thiophen-3-ylpropyl)amino]-6-(5,6-dimethoxybenzimidazol-1-yl)pyridine-3-carboxamide
CID 168991294
2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 53214897
2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 23654018
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214933
2-(4,4-difluoroazepan-1-yl)-6,7-dimethoxyquinoline-3-carboxylic acid
CID 169264563
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate
CID 15998604
2-(5,6-dimethoxybenzimidazol-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 23653913
2-(3-methoxy-5-methylpyrazol-1-yl)-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]pyridine-3-carboxylic acid
CID 168991627

Frequently Asked Questions

What is the IUPAC name of methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate (CID 168991421) is methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate is COC(=O)c1ccc(-n2cnc3cc(OC)c(OC)cc32)nc1N1CCCC1.
What is the InChIKey of methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate?
The InChIKey is IELHRDPIMYARCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-26-16-10-14-15(11-17(16)27-2)24(12-21-14)18-7-6-13(20(25)28-3)19(22-18)23-8-4-5-9-23/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate?
methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 168991421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).