7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline

C31H33N3 — CID 140940572

IUPAC7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline
SMILESCc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)C(C)(C)C(C)(C)c1c-2ccc2cccnc12
InChIInChI=1S/C31H33N3/c1-19-14-16-23-22-17-15-21-11-10-18-32-28(21)26(22)30(3,4)31(5,6)27(23)29(19)34-20(2)33(7)24-12-8-9-13-25(24)34/h8-18,20H,1-7H3/t20-/m0/s1
InChIKeyZIRRDIOFQYQSDR-FQEVSTJZSA-N
MW447.63 g/mol
LogP7.71
Rot. Bonds1

About 7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline

7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline (PubChem CID 140940572) has the molecular formula C31H33N3 and a molecular weight of 447.63 g/mol. Its IUPAC name is 7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline.

Molecular Properties

Compound Name7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline
PubChem CID140940572
Molecular FormulaC31H33N3
Molecular Weight447.63 g/mol
Exact Mass447.27
IUPAC Name7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline
SMILESCc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)C(C)(C)C(C)(C)c1c-2ccc2cccnc12
InChIInChI=1S/C31H33N3/c1-19-14-16-23-22-17-15-21-11-10-18-32-28(21)26(22)30(3,4)31(5,6)27(23)29(19)34-20(2)33(7)24-12-8-9-13-25(24)34/h8-18,20H,1-7H3/t20-/m0/s1
InChIKeyZIRRDIOFQYQSDR-FQEVSTJZSA-N
XLogP7.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.63
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline?
The IUPAC name of 7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline (CID 140940572) is 7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline.
What is the SMILES notation for 7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline?
The canonical SMILES for 7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline is Cc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)C(C)(C)C(C)(C)c1c-2ccc2cccnc12.
What is the InChIKey of 7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline?
The InChIKey is ZIRRDIOFQYQSDR-FQEVSTJZSA-N. The full InChI is InChI=1S/C31H33N3/c1-19-14-16-23-22-17-15-21-11-10-18-32-28(21)26(22)30(3,4)31(5,6)27(23)29(19)34-20(2)33(7)24-12-8-9-13-25(24)34/h8-18,20H,1-7H3/t20-/m0/s1.
What are the key properties of 7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline?
7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline has a molecular weight of 447.63 g/mol, XLogP of 7.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline is sourced from PubChem (CID 140940572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).