1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole

C20H20Cl2N2 — CID 73442213

IUPAC1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole
SMILESCC(c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CC(C)(C)C3
InChIInChI=1S/C20H20Cl2N2/c1-12(13-4-5-16(21)17(22)6-13)24-11-23-18-7-14-9-20(2,3)10-15(14)8-19(18)24/h4-8,11-12H,9-10H2,1-3H3
InChIKeyCKQDMLAIFBUVML-UHFFFAOYSA-N
MW359.30 g/mol
LogP6.08
Rot. Bonds2

About 1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole

1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole (PubChem CID 73442213) has the molecular formula C20H20Cl2N2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole
PubChem CID73442213
Molecular FormulaC20H20Cl2N2
Molecular Weight359.30 g/mol
Exact Mass358.10
IUPAC Name1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole
SMILESCC(c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CC(C)(C)C3
InChIInChI=1S/C20H20Cl2N2/c1-12(13-4-5-16(21)17(22)6-13)24-11-23-18-7-14-9-20(2,3)10-15(14)8-19(18)24/h4-8,11-12H,9-10H2,1-3H3
InChIKeyCKQDMLAIFBUVML-UHFFFAOYSA-N
XLogP6.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.30
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole (CID 73442213) is 1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole is CC(c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CC(C)(C)C3.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole?
The InChIKey is CKQDMLAIFBUVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2/c1-12(13-4-5-16(21)17(22)6-13)24-11-23-18-7-14-9-20(2,3)10-15(14)8-19(18)24/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole?
1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole has a molecular weight of 359.30 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole is sourced from PubChem (CID 73442213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).