6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine

C30H41N3O — CID 118318444

IUPAC6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine
SMILESCC(C)c1ccc(Nc2nc3ccc(OC4CCC4)cc3n2C2CC(C)(C)CC(C)(C)C2)cc1
InChIInChI=1S/C30H41N3O/c1-20(2)21-10-12-22(13-11-21)31-28-32-26-15-14-25(34-24-8-7-9-24)16-27(26)33(28)23-17-29(3,4)19-30(5,6)18-23/h10-16,20,23-24H,7-9,17-19H2,1-6H3,(H,31,32)
InChIKeyCWCPCYPTYPWBQJ-UHFFFAOYSA-N
MW459.68 g/mol
LogP8.61
Rot. Bonds6

About 6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine

6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine (PubChem CID 118318444) has the molecular formula C30H41N3O and a molecular weight of 459.68 g/mol. Its IUPAC name is 6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine
PubChem CID118318444
Molecular FormulaC30H41N3O
Molecular Weight459.68 g/mol
Exact Mass459.32
IUPAC Name6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine
SMILESCC(C)c1ccc(Nc2nc3ccc(OC4CCC4)cc3n2C2CC(C)(C)CC(C)(C)C2)cc1
InChIInChI=1S/C30H41N3O/c1-20(2)21-10-12-22(13-11-21)31-28-32-26-15-14-25(34-24-8-7-9-24)16-27(26)33(28)23-17-29(3,4)19-30(5,6)18-23/h10-16,20,23-24H,7-9,17-19H2,1-6H3,(H,31,32)
InChIKeyCWCPCYPTYPWBQJ-UHFFFAOYSA-N
XLogP8.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazol-2-amine
CID 118318274
6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-2-amine
CID 118318446
6-ethoxy-N-(4-propan-2-ylphenyl)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazol-2-amine
CID 118318372
2-(4-propan-2-ylanilino)-3-(3,3,5-trimethylcyclohexyl)benzimidazole-5-carbonitrile
CID 123181636
6-methoxy-N-(4-propan-2-yloxyphenyl)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazol-2-amine
CID 118318369
5-bromo-N-(4-propan-2-ylphenyl)-1-(3,3,5-trimethylcyclohexyl)benzimidazol-2-amine
CID 123543516
2-[6-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]propan-2-ol
CID 135221581
6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-2-amine
CID 118318393
1-cyclohexyl-3-[1-(3,3,5,5-tetramethylcyclohexyl)-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]urea
CID 118318539
methyl 2-[6-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]acetate
CID 118318726
2-[1-(3,3,5,5-tetramethylcyclohexyl)-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxyacetic acid
CID 118310598
4-methoxy-N-(4-propan-2-ylphenyl)-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-2-amine
CID 118318579

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine?
The IUPAC name of 6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine (CID 118318444) is 6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine.
What is the SMILES notation for 6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine?
The canonical SMILES for 6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine is CC(C)c1ccc(Nc2nc3ccc(OC4CCC4)cc3n2C2CC(C)(C)CC(C)(C)C2)cc1.
What is the InChIKey of 6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine?
The InChIKey is CWCPCYPTYPWBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O/c1-20(2)21-10-12-22(13-11-21)31-28-32-26-15-14-25(34-24-8-7-9-24)16-27(26)33(28)23-17-29(3,4)19-30(5,6)18-23/h10-16,20,23-24H,7-9,17-19H2,1-6H3,(H,31,32).
What are the key properties of 6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine?
6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine has a molecular weight of 459.68 g/mol, XLogP of 8.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyloxy-N-(4-propan-2-ylphenyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine is sourced from PubChem (CID 118318444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).