1-tert-butyl-5-methyl-2-phenylbenzimidazole

C18H20N2 — CID 151472435

IUPAC1-tert-butyl-5-methyl-2-phenylbenzimidazole
SMILESCc1ccc2c(c1)nc(-c1ccccc1)n2C(C)(C)C
InChIInChI=1S/C18H20N2/c1-13-10-11-16-15(12-13)19-17(20(16)18(2,3)4)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKeyPKTKCBKEOPISRV-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.77
Rot. Bonds1

About 1-tert-butyl-5-methyl-2-phenylbenzimidazole

1-tert-butyl-5-methyl-2-phenylbenzimidazole (PubChem CID 151472435) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-2-phenylbenzimidazole
PubChem CID151472435
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-tert-butyl-5-methyl-2-phenylbenzimidazole
SMILESCc1ccc2c(c1)nc(-c1ccccc1)n2C(C)(C)C
InChIInChI=1S/C18H20N2/c1-13-10-11-16-15(12-13)19-17(20(16)18(2,3)4)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKeyPKTKCBKEOPISRV-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-2-phenylbenzimidazole?
The IUPAC name of 1-tert-butyl-5-methyl-2-phenylbenzimidazole (CID 151472435) is 1-tert-butyl-5-methyl-2-phenylbenzimidazole.
What is the SMILES notation for 1-tert-butyl-5-methyl-2-phenylbenzimidazole?
The canonical SMILES for 1-tert-butyl-5-methyl-2-phenylbenzimidazole is Cc1ccc2c(c1)nc(-c1ccccc1)n2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-2-phenylbenzimidazole?
The InChIKey is PKTKCBKEOPISRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-10-11-16-15(12-13)19-17(20(16)18(2,3)4)14-8-6-5-7-9-14/h5-12H,1-4H3.
What are the key properties of 1-tert-butyl-5-methyl-2-phenylbenzimidazole?
1-tert-butyl-5-methyl-2-phenylbenzimidazole has a molecular weight of 264.37 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-2-phenylbenzimidazole is sourced from PubChem (CID 151472435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).