methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate

C23H21N3O2 — CID 46913123

IUPACmethyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(CCc1ccccn1)n2Cc1ccccc1
InChIInChI=1S/C23H21N3O2/c1-28-23(27)18-10-12-21-20(15-18)25-22(13-11-19-9-5-6-14-24-19)26(21)16-17-7-3-2-4-8-17/h2-10,12,14-15H,11,13,16H2,1H3
InChIKeyHYEXKTMQQWLHNC-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.05
Rot. Bonds6

About methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate

methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate (PubChem CID 46913123) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate
PubChem CID46913123
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Namemethyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(CCc1ccccn1)n2Cc1ccccc1
InChIInChI=1S/C23H21N3O2/c1-28-23(27)18-10-12-21-20(15-18)25-22(13-11-19-9-5-6-14-24-19)26(21)16-17-7-3-2-4-8-17/h2-10,12,14-15H,11,13,16H2,1H3
InChIKeyHYEXKTMQQWLHNC-UHFFFAOYSA-N
XLogP4.05
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate (CID 46913123) is methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(CCc1ccccn1)n2Cc1ccccc1.
What is the InChIKey of methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate?
The InChIKey is HYEXKTMQQWLHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-28-23(27)18-10-12-21-20(15-18)25-22(13-11-19-9-5-6-14-24-19)26(21)16-17-7-3-2-4-8-17/h2-10,12,14-15H,11,13,16H2,1H3.
What are the key properties of methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate?
methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-2-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 46913123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).