3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole

C20H22N2O — CID 73442217

IUPAC3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole
SMILESCOc1ccc(Cn2cnc3cc4c(cc32)CCCC4)cc1C
InChIInChI=1S/C20H22N2O/c1-14-9-15(7-8-20(14)23-2)12-22-13-21-18-10-16-5-3-4-6-17(16)11-19(18)22/h7-11,13H,3-6,12H2,1-2H3
InChIKeyBBFOREFQNPCWBB-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.28
Rot. Bonds3

About 3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole

3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole (PubChem CID 73442217) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole.

Molecular Properties

Compound Name3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole
PubChem CID73442217
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole
SMILESCOc1ccc(Cn2cnc3cc4c(cc32)CCCC4)cc1C
InChIInChI=1S/C20H22N2O/c1-14-9-15(7-8-20(14)23-2)12-22-13-21-18-10-16-5-3-4-6-17(16)11-19(18)22/h7-11,13H,3-6,12H2,1-2H3
InChIKeyBBFOREFQNPCWBB-UHFFFAOYSA-N
XLogP4.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole?
The IUPAC name of 3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole (CID 73442217) is 3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole.
What is the SMILES notation for 3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole?
The canonical SMILES for 3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole is COc1ccc(Cn2cnc3cc4c(cc32)CCCC4)cc1C.
What is the InChIKey of 3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole?
The InChIKey is BBFOREFQNPCWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-9-15(7-8-20(14)23-2)12-22-13-21-18-10-16-5-3-4-6-17(16)11-19(18)22/h7-11,13H,3-6,12H2,1-2H3.
What are the key properties of 3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole?
3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole has a molecular weight of 306.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole is sourced from PubChem (CID 73442217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).