(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate

C17H16N2O3 — CID 67949207

IUPAC(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate
SMILESCOc1ccc(COC(=O)n2c(C)nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O3/c1-12-18-15-5-3-4-6-16(15)19(12)17(20)22-11-13-7-9-14(21-2)10-8-13/h3-10H,11H2,1-2H3
InChIKeyFWWLMIMHGIODFY-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.54
Rot. Bonds3

About (4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate

(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate (PubChem CID 67949207) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate
PubChem CID67949207
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate
SMILESCOc1ccc(COC(=O)n2c(C)nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O3/c1-12-18-15-5-3-4-6-16(15)19(12)17(20)22-11-13-7-9-14(21-2)10-8-13/h3-10H,11H2,1-2H3
InChIKeyFWWLMIMHGIODFY-UHFFFAOYSA-N
XLogP3.54
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate (CID 67949207) is (4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate is COc1ccc(COC(=O)n2c(C)nc3ccccc32)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate?
The InChIKey is FWWLMIMHGIODFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-18-15-5-3-4-6-16(15)19(12)17(20)22-11-13-7-9-14(21-2)10-8-13/h3-10H,11H2,1-2H3.
What are the key properties of (4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate?
(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate is sourced from PubChem (CID 67949207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).