1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole

C19H20N2O — CID 73442216

IUPAC1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole
SMILESCOc1ccc(Cn2cnc3cc4c(cc32)CCC4)cc1C
InChIInChI=1S/C19H20N2O/c1-13-8-14(6-7-19(13)22-2)11-21-12-20-17-9-15-4-3-5-16(15)10-18(17)21/h6-10,12H,3-5,11H2,1-2H3
InChIKeyRDNGFVHIBLMLSY-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.89
Rot. Bonds3

About 1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole

1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole (PubChem CID 73442216) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole.

Molecular Properties

Compound Name1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole
PubChem CID73442216
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole
SMILESCOc1ccc(Cn2cnc3cc4c(cc32)CCC4)cc1C
InChIInChI=1S/C19H20N2O/c1-13-8-14(6-7-19(13)22-2)11-21-12-20-17-9-15-4-3-5-16(15)10-18(17)21/h6-10,12H,3-5,11H2,1-2H3
InChIKeyRDNGFVHIBLMLSY-UHFFFAOYSA-N
XLogP3.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole?
The IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole (CID 73442216) is 1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole.
What is the SMILES notation for 1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole?
The canonical SMILES for 1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole is COc1ccc(Cn2cnc3cc4c(cc32)CCC4)cc1C.
What is the InChIKey of 1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole?
The InChIKey is RDNGFVHIBLMLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-8-14(6-7-19(13)22-2)11-21-12-20-17-9-15-4-3-5-16(15)10-18(17)21/h6-10,12H,3-5,11H2,1-2H3.
What are the key properties of 1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole?
1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole has a molecular weight of 292.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole is sourced from PubChem (CID 73442216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).