5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole

C19H22N2 — CID 164960661

IUPAC5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole
SMILESCC(C)C1=Cc2c(c3c(c4c2=NCN=4)C=C(C(C)C)C3)C1
InChIInChI=1S/C19H22N2/c1-10(2)12-5-14-15-6-13(11(3)4)8-17(15)19-18(16(14)7-12)20-9-21-19/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyZYBLOGZFZQYLRY-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.09
Rot. Bonds2

About 5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole

5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole (PubChem CID 164960661) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole.

Molecular Properties

Compound Name5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole
PubChem CID164960661
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole
SMILESCC(C)C1=Cc2c(c3c(c4c2=NCN=4)C=C(C(C)C)C3)C1
InChIInChI=1S/C19H22N2/c1-10(2)12-5-14-15-6-13(11(3)4)8-17(15)19-18(16(14)7-12)20-9-21-19/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyZYBLOGZFZQYLRY-UHFFFAOYSA-N
XLogP3.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-di(cyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 57864914
4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 58019378
4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole
CID 58019390
5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 58281838
4,7-diethyl-2H-benzimidazole
CID 58776602
4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 59380760
4,7-di(propan-2-yl)-2H-benzimidazole
CID 89446993
4-methyl-7-propan-2-yl-2H-benzimidazole
CID 89451895
4-ethyl-7-propyl-2H-benzimidazole
CID 90273567
4,7-diethyl-2H-benzimidazole;ethane
CID 91265314
5,10-Di(propan-2-yl)-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
CID 121465799
4,7-ditert-butyl-2H-benzimidazole
CID 134195407

Frequently Asked Questions

What is the IUPAC name of 5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole?
The IUPAC name of 5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole (CID 164960661) is 5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole.
What is the SMILES notation for 5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole?
The canonical SMILES for 5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole is CC(C)C1=Cc2c(c3c(c4c2=NCN=4)C=C(C(C)C)C3)C1.
What is the InChIKey of 5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole?
The InChIKey is ZYBLOGZFZQYLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-10(2)12-5-14-15-6-13(11(3)4)8-17(15)19-18(16(14)7-12)20-9-21-19/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole?
5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole has a molecular weight of 278.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-di(propan-2-yl)-6,7-dihydro-2H-as-indaceno[4,5-d]imidazole is sourced from PubChem (CID 164960661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).