methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate

C22H18N4O2 — CID 164613014

IUPACmethyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCOC(=O)c1c(C)nc2n(Cc3ccc4ccccc4n3)c3ccccc3n12
InChIInChI=1S/C22H18N4O2/c1-14-20(21(27)28-2)26-19-10-6-5-9-18(19)25(22(26)23-14)13-16-12-11-15-7-3-4-8-17(15)24-16/h3-12H,13H2,1-2H3
InChIKeyVRCVKQPQMSBPBU-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.98
Rot. Bonds3

About methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate

methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 164613014) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID164613014
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Namemethyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCOC(=O)c1c(C)nc2n(Cc3ccc4ccccc4n3)c3ccccc3n12
InChIInChI=1S/C22H18N4O2/c1-14-20(21(27)28-2)26-19-10-6-5-9-18(19)25(22(26)23-14)13-16-12-11-15-7-3-4-8-17(15)24-16/h3-12H,13H2,1-2H3
InChIKeyVRCVKQPQMSBPBU-UHFFFAOYSA-N
XLogP3.98
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate (CID 164613014) is methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate is COC(=O)c1c(C)nc2n(Cc3ccc4ccccc4n3)c3ccccc3n12.
What is the InChIKey of methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is VRCVKQPQMSBPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-14-20(21(27)28-2)26-19-10-6-5-9-18(19)25(22(26)23-14)13-16-12-11-15-7-3-4-8-17(15)24-16/h3-12H,13H2,1-2H3.
What are the key properties of methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 164613014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).