5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole

C19H22N2 — CID 962388

IUPAC5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
SMILESCc1cc2ncn(Cc3ccc(C(C)C)cc3)c2cc1C
InChIInChI=1S/C19H22N2/c1-13(2)17-7-5-16(6-8-17)11-21-12-20-18-9-14(3)15(4)10-19(18)21/h5-10,12-13H,11H2,1-4H3
InChIKeyFUISTPWDJJENSI-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.82
Rot. Bonds3

About 5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole

5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole (PubChem CID 962388) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
PubChem CID962388
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
SMILESCc1cc2ncn(Cc3ccc(C(C)C)cc3)c2cc1C
InChIInChI=1S/C19H22N2/c1-13(2)17-7-5-16(6-8-17)11-21-12-20-18-9-14(3)15(4)10-19(18)21/h5-10,12-13H,11H2,1-4H3
InChIKeyFUISTPWDJJENSI-UHFFFAOYSA-N
XLogP4.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole?
The IUPAC name of 5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole (CID 962388) is 5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole.
What is the SMILES notation for 5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole?
The canonical SMILES for 5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole is Cc1cc2ncn(Cc3ccc(C(C)C)cc3)c2cc1C.
What is the InChIKey of 5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole?
The InChIKey is FUISTPWDJJENSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-13(2)17-7-5-16(6-8-17)11-21-12-20-18-9-14(3)15(4)10-19(18)21/h5-10,12-13H,11H2,1-4H3.
What are the key properties of 5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole?
5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole has a molecular weight of 278.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole is sourced from PubChem (CID 962388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).