methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate

C16H19N3O2 — CID 2858506

IUPACmethyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCCCn1c2ccccc2n2c(C(=O)OC)c(C)nc12
InChIInChI=1S/C16H19N3O2/c1-4-5-10-18-12-8-6-7-9-13(12)19-14(15(20)21-3)11(2)17-16(18)19/h6-9H,4-5,10H2,1-3H3
InChIKeyYOIDZWMWXFZXBK-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.18
Rot. Bonds4

About methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate

methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 2858506) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID2858506
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCCCn1c2ccccc2n2c(C(=O)OC)c(C)nc12
InChIInChI=1S/C16H19N3O2/c1-4-5-10-18-12-8-6-7-9-13(12)19-14(15(20)21-3)11(2)17-16(18)19/h6-9H,4-5,10H2,1-3H3
InChIKeyYOIDZWMWXFZXBK-UHFFFAOYSA-N
XLogP3.18
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate (CID 2858506) is methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate is CCCCn1c2ccccc2n2c(C(=O)OC)c(C)nc12.
What is the InChIKey of methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is YOIDZWMWXFZXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-5-10-18-12-8-6-7-9-13(12)19-14(15(20)21-3)11(2)17-16(18)19/h6-9H,4-5,10H2,1-3H3.
What are the key properties of methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 2858506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).