6-tert-butyl-2-methyl-1-phenylbenzimidazole

C18H20N2 — CID 45104452

IUPAC6-tert-butyl-2-methyl-1-phenylbenzimidazole
SMILESCc1nc2ccc(C(C)(C)C)cc2n1-c1ccccc1
InChIInChI=1S/C18H20N2/c1-13-19-16-11-10-14(18(2,3)4)12-17(16)20(13)15-8-6-5-7-9-15/h5-12H,1-4H3
InChIKeyOVWMQQUJECNKOW-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.63
Rot. Bonds1

About 6-tert-butyl-2-methyl-1-phenylbenzimidazole

6-tert-butyl-2-methyl-1-phenylbenzimidazole (PubChem CID 45104452) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-1-phenylbenzimidazole.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-1-phenylbenzimidazole
PubChem CID45104452
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name6-tert-butyl-2-methyl-1-phenylbenzimidazole
SMILESCc1nc2ccc(C(C)(C)C)cc2n1-c1ccccc1
InChIInChI=1S/C18H20N2/c1-13-19-16-11-10-14(18(2,3)4)12-17(16)20(13)15-8-6-5-7-9-15/h5-12H,1-4H3
InChIKeyOVWMQQUJECNKOW-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870
2-methyl-3-phenylbenzimidazol-5-amine
CID 9115278
6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 102160383
6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345
5,6-bis[(1Z)-buta-1,3-dienyl]-2-methyl-1-phenylbenzimidazole
CID 154597983
3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 102188971
3,6-ditert-butyl-10-phenylacridin-9-one
CID 139036050
2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole
CID 170187898
2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 134389370
3-(4-bromophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82791461
2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole
CID 143742531
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-1-phenylbenzimidazole?
The IUPAC name of 6-tert-butyl-2-methyl-1-phenylbenzimidazole (CID 45104452) is 6-tert-butyl-2-methyl-1-phenylbenzimidazole.
What is the SMILES notation for 6-tert-butyl-2-methyl-1-phenylbenzimidazole?
The canonical SMILES for 6-tert-butyl-2-methyl-1-phenylbenzimidazole is Cc1nc2ccc(C(C)(C)C)cc2n1-c1ccccc1.
What is the InChIKey of 6-tert-butyl-2-methyl-1-phenylbenzimidazole?
The InChIKey is OVWMQQUJECNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-19-16-11-10-14(18(2,3)4)12-17(16)20(13)15-8-6-5-7-9-15/h5-12H,1-4H3.
What are the key properties of 6-tert-butyl-2-methyl-1-phenylbenzimidazole?
6-tert-butyl-2-methyl-1-phenylbenzimidazole has a molecular weight of 264.37 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-1-phenylbenzimidazole is sourced from PubChem (CID 45104452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).