4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole

C18H20N2O — CID 46264650

IUPAC4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
SMILESCc1cccc2[nH]c(COc3ccccc3C(C)C)nc12
InChIInChI=1S/C18H20N2O/c1-12(2)14-8-4-5-10-16(14)21-11-17-19-15-9-6-7-13(3)18(15)20-17/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyCQDTVXCELUPRCV-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.57
Rot. Bonds4

About 4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole

4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole (PubChem CID 46264650) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
PubChem CID46264650
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
SMILESCc1cccc2[nH]c(COc3ccccc3C(C)C)nc12
InChIInChI=1S/C18H20N2O/c1-12(2)14-8-4-5-10-16(14)21-11-17-19-15-9-6-7-13(3)18(15)20-17/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyCQDTVXCELUPRCV-UHFFFAOYSA-N
XLogP4.57
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 46264598
6-bromo-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 50754096
6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 27408358
2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole
CID 60646509
3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 112651495
2-methyl-6-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 79260812
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine
CID 82846263
N-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methoxy]carbamate
CID 23336078
1-[(2-propan-2-ylphenoxy)methyl]naphthalene
CID 60627391

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole?
The IUPAC name of 4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole (CID 46264650) is 4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole is Cc1cccc2[nH]c(COc3ccccc3C(C)C)nc12.
What is the InChIKey of 4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole?
The InChIKey is CQDTVXCELUPRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12(2)14-8-4-5-10-16(14)21-11-17-19-15-9-6-7-13(3)18(15)20-17/h4-10,12H,11H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole?
4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole is sourced from PubChem (CID 46264650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).