6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline

C20H23N3 — CID 168554924

IUPAC6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline
SMILESCC1CC(C)(C)N(C)c2ccc(-c3nc4ccccc4[nH]3)cc21
InChIInChI=1S/C20H23N3/c1-13-12-20(2,3)23(4)18-10-9-14(11-15(13)18)19-21-16-7-5-6-8-17(16)22-19/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyHEEGOAKLULIEKI-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.95
Rot. Bonds1

About 6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline

6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline (PubChem CID 168554924) has the molecular formula C20H23N3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline
PubChem CID168554924
Molecular FormulaC20H23N3
Molecular Weight305.42 g/mol
Exact Mass305.19
IUPAC Name6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline
SMILESCC1CC(C)(C)N(C)c2ccc(-c3nc4ccccc4[nH]3)cc21
InChIInChI=1S/C20H23N3/c1-13-12-20(2,3)23(4)18-10-9-14(11-15(13)18)19-21-16-7-5-6-8-17(16)22-19/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyHEEGOAKLULIEKI-UHFFFAOYSA-N
XLogP4.95
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline (CID 168554924) is 6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline is CC1CC(C)(C)N(C)c2ccc(-c3nc4ccccc4[nH]3)cc21.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline?
The InChIKey is HEEGOAKLULIEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-13-12-20(2,3)23(4)18-10-9-14(11-15(13)18)19-21-16-7-5-6-8-17(16)22-19/h5-11,13H,12H2,1-4H3,(H,21,22).
What are the key properties of 6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline?
6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline has a molecular weight of 305.42 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-1,2,2,4-tetramethyl-3,4-dihydroquinoline is sourced from PubChem (CID 168554924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).